data_2n23_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 2n23 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 120.271 0.082 . . . . 1.21 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -150.6 173.84 13.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.18 -0.608 . . . . 0.91 112.48 -172.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.41 148.67 5.65 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 114.748 -1.115 . . . . 0.17 110.667 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.87 114.36 5.65 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.277 0.561 . . . . 1.07 111.873 -173.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.869 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -122.63 172.17 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.011 -0.995 . . . . 1.05 109.605 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.626 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -129.5 134.73 63.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 109.954 -0.387 . . . . 1.08 109.954 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 35.2 t80 -150.2 125.84 10.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.153 -0.476 . . . . 0.45 109.969 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 63.05 46.15 4.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.327 0.584 . . . . 1.33 111.405 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 69.11 -0.15 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.834 -1.075 . . . . 2.85 113.31 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 13' ' ' SER . 2.1 p -117.39 148.9 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.706 -0.479 . . . . 1.04 109.706 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.626 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.6 m -94.43 157.06 16.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.753 -0.658 . . . . 1.8 111.27 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.2 -147.49 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.997 -0.547 . . . . 0.22 112.159 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.588 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.68 146.01 32.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.467 -0.568 . . . . 1.05 109.467 175.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -100.13 133.09 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 107.297 -1.372 . . . . 1.06 107.297 170.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.06 108.74 5.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.0 112.085 -169.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.526 HD12 HD12 ' A' ' 104' ' ' LEU . 3.2 mp -87.89 126.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.286 0.565 . . . . 1.03 109.945 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.08 121.13 42.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.417 -0.811 . . . . 1.36 110.657 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -120.89 70.73 0.91 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 118.981 -1.088 . . . . 1.47 108.622 167.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -112.82 -17.06 12.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.75 1.262 . . . . 3.67 108.612 161.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 23' ' ' SER . 29.0 m -107.31 -169.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 112.687 -2.051 . . . . 1.47 111.245 -162.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.485 ' O ' HG21 ' A' ' 22' ' ' VAL . 9.0 m -72.97 169.06 19.15 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 105.655 -1.979 . . . . 1.72 105.655 174.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -34.08 125.58 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.687 2.258 . . . . 0.69 113.541 -150.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB3' HG23 ' A' ' 107' ' ' ILE . . . -36.79 130.44 0.77 Allowed 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 113.826 -1.534 . . . . 1.1 112.683 -164.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.5 mt-10 -116.97 148.1 41.71 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 120.219 -0.592 . . . . 0.69 110.012 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.98 128.92 49.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.714 . . . . 1.22 109.078 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 6.5 m -122.93 108.58 13.11 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.133 -0.485 . . . . 1.06 111.434 -171.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.16 120.71 30.78 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.63 -0.828 . . . . 0.22 108.885 171.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -124.7 132.51 53.39 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.671 -0.695 . . . . 2.49 109.994 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.472 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 85.8 p -63.26 162.34 12.25 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.8 -0.636 . . . . 0.97 110.633 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -56.16 -35.01 66.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.212 0.53 . . . . 1.28 111.409 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.53 -28.49 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 2.57 110.96 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.91 -7.86 59.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 1.41 112.663 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.55 -50.47 65.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.127 0.489 . . . . 2.64 111.162 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 3.6 mttp -85.45 120.74 27.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.743 -0.662 . . . . 1.81 110.858 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 30' ' ' ARG . 2.6 t -132.71 126.56 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.914 -0.773 . . . . 1.53 108.914 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' THR . 13.0 m-70 -129.22 115.98 18.47 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.327 -0.62 . . . . 0.38 109.327 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.9 OUTLIER -105.73 133.05 51.08 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.033 0.444 . . . . 1.03 111.38 -173.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 45' ' ' ILE . 51.1 t -121.72 102.0 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 1.09 110.664 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.31 119.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.517 0.675 . . . . 1.3 109.828 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.92 -16.77 64.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.941 -1.027 . . . . 1.86 113.166 -168.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 t -65.27 -21.47 66.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 1.37 110.728 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.2 p -93.92 2.27 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 1.05 110.479 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.2 mm -99.13 139.76 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-N 115.874 -0.603 . . . . 1.07 111.807 -176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -98.6 -42.28 7.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 0.7 110.496 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.535 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.2 tmtt? -143.78 174.18 11.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.306 0.574 . . . . 2.16 110.554 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 HD11 ' HG2' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -147.26 154.77 41.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.676 -0.693 . . . . 1.98 109.146 166.469 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.5 mt-30 -142.21 162.92 34.24 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.04 -0.527 . . . . 2.28 110.545 -168.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.52 164.4 32.68 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.468 0.48 . . . . 1.17 110.087 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 1.15 111.625 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.203 0.525 . . . . 2.71 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.6 mpt? -113.37 119.88 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 1.6 110.369 -173.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -146.08 140.1 26.5 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.927 -0.309 . . . . 1.26 111.161 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD11 ' HB1' ' A' ' 50' ' ' ALA . 2.1 mm? -120.67 153.5 36.81 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.041 -0.726 . . . . 1.23 109.041 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.3 mtt180 -123.14 153.15 40.38 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.227 -0.442 . . . . 2.99 111.373 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -117.01 104.43 11.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.488 -0.778 . . . . 1.45 109.071 169.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.5 mm -88.43 99.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.735 -0.469 . . . . 1.24 109.735 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.72 152.37 47.48 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.334 -0.936 . . . . 0.37 111.703 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.2 mttt . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.988 0.899 . . . . 1.67 111.631 -177.7 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.006 -0.739 . . . . 2.53 109.006 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 22.8 ptt180 -125.11 160.91 27.98 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.434 0.635 . . . . 2.89 112.231 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.1 m-70 -114.91 151.23 34.38 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.916 -1.038 . . . . 0.71 108.897 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.3 ttm -133.26 130.93 39.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.251 -0.579 . . . . 1.33 111.557 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.667 ' CE2' HD21 ' A' ' 62' ' ' LEU . 2.0 m-85 -123.03 132.18 54.02 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.602 -0.726 . . . . 1.18 111.244 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.7 m -99.53 122.11 42.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.157 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.869 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 91.3 m-85 -112.4 178.87 4.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.382 -0.599 . . . . 0.4 109.382 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.708 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 25.2 p-10 -142.66 36.65 1.46 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 1.58 110.215 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.478 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.4 t-20 -152.83 128.12 9.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.317 -0.856 . . . . 1.62 109.422 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -71.96 -35.5 69.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 4.27 111.57 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.478 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 59.9 m -59.67 -51.04 71.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.864 0.364 . . . . 1.1 110.39 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.7 -54.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.621 -0.718 . . . . 1.07 110.617 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.487 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 6.5 mtp -45.79 -56.8 4.88 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 112.424 0.527 . . . . 1.36 112.424 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.599 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 17.0 t70 -64.12 -39.17 93.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.369 -0.378 . . . . 0.67 111.219 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.68 -50.08 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.55 110.942 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' HD13 ' A' ' 104' ' ' LEU . 51.4 mm -61.69 -41.23 89.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.569 -0.53 . . . . 1.07 109.569 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 30.7 mtmt -50.54 -60.06 3.4 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.508 0.67 . . . . 1.55 110.168 173.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.5 mtm -59.6 -50.15 74.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.43 -1.259 . . . . 1.92 112.422 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 107' ' ' ILE . 88.8 m -54.16 -48.76 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.07 111.384 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.1 mp -70.92 -51.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.085 -0.709 . . . . 1.69 109.085 -176.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -50.46 -50.83 51.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.636 -1.165 . . . . 2.1 111.88 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.1 mm-40 -66.43 -49.89 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.328 0.492 . . . . 2.91 112.328 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' A' ' 25' ' ' ALA . 46.4 mt -62.44 -43.69 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.594 -0.442 . . . . 1.16 110.307 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.6 mt -53.42 -49.27 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.809 -0.632 . . . . 1.14 110.185 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -69.76 -21.81 63.41 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.669 -0.696 . . . . 1.9 112.032 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 93.8 mtt180 -68.18 -24.4 64.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.021 0.438 . . . . 3.42 110.169 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 3.1 109.907 177.1 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.512 ' HA ' HG21 ' A' ' 103' ' ' THR . 47.8 m80 . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 114.201 1.185 . . . . 1.21 114.201 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 7.9 p -140.07 157.48 45.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.83 1.048 . . . . 0.91 113.83 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.04 154.93 11.26 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 113.588 -1.642 . . . . 0.17 110.112 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.27 116.77 8.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.322 0.582 . . . . 1.07 112.087 -172.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.827 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.49 173.22 7.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.064 -0.971 . . . . 1.05 110.157 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.624 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.7 mp -131.99 135.68 58.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.052 -0.522 . . . . 1.08 109.899 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.633 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 44.8 t80 -149.21 131.89 15.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.815 -0.809 . . . . 0.45 108.815 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.633 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.6 mt-10 64.24 32.3 12.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.557 0.694 . . . . 1.33 110.398 -176.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 65.09 3.22 2.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.564 -1.198 . . . . 2.85 112.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -103.64 148.66 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.908 -0.775 . . . . 1.04 108.908 171.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.624 ' HA ' HG13 ' A' ' 8' ' ' ILE . 15.4 t -98.51 154.0 18.21 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.32 0.581 . . . . 1.8 111.96 -174.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.12 -148.14 6.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.906 -1.043 . . . . 0.22 111.791 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.58 145.09 31.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.615 -0.513 . . . . 1.05 109.615 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.36 132.92 45.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.888 -1.523 . . . . 1.06 106.888 170.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.86 5.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 104' ' ' LEU . 3.9 mp -92.61 131.04 40.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.884 0.373 . . . . 1.03 110.131 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -119.24 129.26 54.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.852 -0.613 . . . . 1.36 110.757 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -120.27 72.71 0.95 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.753 -1.203 . . . . 1.47 107.753 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -112.91 -23.3 10.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.982 1.372 . . . . 3.67 108.553 164.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.16 -169.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 112.08 -2.327 . . . . 1.47 111.568 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 49.9 p -73.04 168.56 23.62 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 105.419 -2.067 . . . . 1.72 105.419 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.632 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 77.1 Cg_exo -33.29 125.64 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.594 2.196 . . . . 0.69 113.912 -146.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.28 130.01 0.36 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 125.527 1.767 . . . . 1.1 112.307 -169.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.43 145.05 42.34 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.859 -0.737 . . . . 0.69 110.085 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.56 129.72 50.83 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.718 -1.128 . . . . 1.22 108.876 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -120.62 107.87 13.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 120.845 -0.342 . . . . 1.06 110.768 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 87.4 t90 -89.35 114.96 26.44 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 119.115 -1.034 . . . . 0.22 108.27 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HB3' HG23 ' A' ' 37' ' ' VAL . 2.1 ptt180 -124.46 122.74 38.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.392 -0.822 . . . . 2.49 110.284 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.6 p -58.23 154.0 14.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.85 -1.068 . . . . 0.97 111.342 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -52.11 -39.35 59.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 1.28 111.378 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -67.15 -26.48 66.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 2.57 111.585 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.08 3.59 63.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 1.41 112.042 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.12 -62.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 2.64 110.721 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.0 mttt -80.27 128.77 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.834 -0.621 . . . . 1.81 111.468 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 30' ' ' ARG . 4.8 t -139.43 117.49 11.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.897 -0.779 . . . . 1.53 108.897 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.25 116.07 24.19 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.009 -0.737 . . . . 0.38 109.009 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.47 119.6 39.97 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.643 0.735 . . . . 1.03 111.845 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -106.83 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.787 -1.097 . . . . 1.09 110.362 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.62 116.84 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.359 -0.978 . . . . 1.3 108.359 171.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.037 -0.983 . . . . 1.86 112.563 -168.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.632 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 44.9 t -52.6 -23.42 6.42 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.636 0.255 . . . . 1.37 111.672 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -88.25 -2.53 58.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.216 0.531 . . . . 1.05 110.86 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 10.2 mm -100.77 145.16 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.589 -0.732 . . . . 1.07 110.032 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.7 110.114 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.581 ' HB3' HG13 ' A' ' 63' ' ' ILE . 4.2 tmtp? -135.38 174.95 10.04 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.288 0.566 . . . . 2.16 110.22 -175.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.4 pt? -142.81 154.06 43.83 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 1.98 108.479 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.475 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.1 mt-30 -135.38 145.69 47.6 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.93 -0.308 . . . . 2.28 110.27 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.509 ' HB2' ' HD2' ' A' ' 101' ' ' LYS . . . -135.19 145.83 48.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 1.17 110.735 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 1.15 112.519 -175.699 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.969 0.414 . . . . 2.71 111.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.566 ' SD ' ' HD2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -98.57 113.01 24.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.852 -0.613 . . . . 1.6 110.04 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 tpp -139.44 145.55 38.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 1.26 110.872 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -126.19 143.62 51.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.192 0.52 . . . . 1.23 109.844 168.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 69.7 mtt180 -112.27 148.44 34.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.474 -0.785 . . . . 2.99 111.327 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -111.6 103.34 11.65 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.743 -1.117 . . . . 1.45 108.873 172.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.581 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.0 mm -87.73 98.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.589 -0.522 . . . . 1.24 109.589 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.64 149.7 49.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.943 -0.646 . . . . 0.37 112.239 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.2 mttt . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 122.445 1.117 . . . . 1.67 112.384 -175.388 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 109.612 -0.514 . . . . 2.53 109.612 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.9 ptp180 -113.33 151.91 30.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.744 0.783 . . . . 2.89 112.789 -169.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 60.3 m-70 -107.04 155.32 19.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.86 -1.163 . . . . 0.71 107.86 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.3 ttm -134.09 129.62 36.24 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.631 -0.428 . . . . 1.33 110.609 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD22 ' A' ' 62' ' ' LEU . 7.1 m-85 -124.51 133.36 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.065 0.459 . . . . 1.18 109.774 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.43 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.8 m -92.3 147.79 22.64 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.395 -0.82 . . . . 1.5 109.948 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.827 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 97.3 m-85 -120.06 177.3 5.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.29 0.567 . . . . 0.4 110.183 167.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.48 26.81 5.91 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.086 -0.961 . . . . 1.58 110.433 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -157.69 135.03 10.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.179 -0.464 . . . . 1.62 109.809 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.566 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 14.3 mmm180 -72.39 -35.23 68.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.056 -0.52 . . . . 4.27 111.808 -173.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.1 m -67.3 -48.74 66.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.994 0.426 . . . . 1.1 110.428 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 100' ' ' ILE . 26.0 t -46.81 -57.52 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.274 -0.876 . . . . 1.07 111.95 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.657 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm -55.07 -51.33 66.69 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.381 -0.528 . . . . 1.36 111.18 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.657 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -56.23 -41.1 75.13 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.606 0.566 . . . . 0.67 111.81 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -50.1 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.009 0.433 . . . . 1.55 110.529 175.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.761 ' O ' HD11 ' A' ' 104' ' ' LEU . 48.5 mm -59.73 -42.87 90.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.732 -0.667 . . . . 1.07 110.173 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.657 ' HG3' ' O ' ' A' ' 97' ' ' MET . 1.3 mtpt -49.01 -63.11 1.19 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.43 0.633 . . . . 1.55 110.138 175.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.96 -44.29 91.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.552 -1.204 . . . . 1.92 112.076 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.512 HG21 ' HA ' ' A' ' 3' ' ' HIS . 62.3 m -54.48 -57.86 9.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.278 0.561 . . . . 1.07 110.87 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.761 HD11 ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -66.33 -50.62 62.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.224 -0.898 . . . . 1.69 109.622 -174.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -43.01 -50.73 5.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.845 -1.071 . . . . 2.1 112.101 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.651 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 55.8 mt-30 -71.25 -51.74 22.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.379 -0.343 . . . . 2.91 111.77 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 71.2 mt -52.21 -47.91 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.395 0.617 . . . . 1.16 110.072 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 1.11 HG12 ' OH ' ' A' ' 111' ' ' TYR . 68.7 mt -55.74 -56.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 114.876 -1.056 . . . . 1.14 110.521 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -60.19 -22.61 63.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.77 0.319 . . . . 1.9 111.28 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 85.8 mtt180 -68.55 -43.12 77.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.592 -0.276 . . . . 3.42 110.663 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 1.11 ' OH ' HG12 ' A' ' 108' ' ' ILE . 1.5 p90 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.299 0.571 . . . . 3.1 110.687 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.402 ' HA ' HG21 ' A' ' 103' ' ' THR . 57.8 m80 . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 112.642 0.608 . . . . 1.21 112.642 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 17.5 p -154.45 165.15 37.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.48 0.657 . . . . 0.91 112.176 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.33 149.91 6.64 Favored Glycine 0 N--CA 1.439 -1.155 0 CA-C-N 114.466 -1.243 . . . . 0.17 110.597 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 114.45 5.92 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.306 0.574 . . . . 1.07 111.555 -174.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.793 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -123.28 177.24 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 1.05 110.049 -176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.5 mp -131.18 136.7 57.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 110.214 -0.291 . . . . 1.08 110.214 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 65.3 t80 -150.23 136.27 18.6 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.729 -0.841 . . . . 0.45 108.729 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.653 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.8 mt-10 63.89 31.94 13.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.504 0.669 . . . . 1.33 110.87 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 64.35 5.07 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.616 -1.175 . . . . 2.85 113.12 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 9' ' ' PHE . 1.5 p -107.0 149.03 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.873 -0.788 . . . . 1.04 108.873 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.588 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 m -92.94 151.0 20.19 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.077 -0.511 . . . . 1.8 111.837 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -167.71 -151.56 7.07 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.714 -0.675 . . . . 0.22 111.804 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.58 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.21 146.18 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.15 -0.685 . . . . 1.05 109.15 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.47 130.45 49.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.252 -1.388 . . . . 1.06 107.252 170.237 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.65 111.0 7.03 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.07 0.396 . . . . 1.0 112.07 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.597 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.5 mp -94.6 127.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.004 0.431 . . . . 1.03 110.125 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -116.91 130.86 56.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.653 -0.703 . . . . 1.36 110.359 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -124.56 72.72 1.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.174 -1.047 . . . . 1.47 108.174 168.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -112.93 -21.63 11.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.21 1.481 . . . . 3.67 108.348 165.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -168.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 111.832 -2.44 . . . . 1.47 111.859 -160.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 44.1 p -72.64 169.27 17.82 Favored Pre-proline 0 C--N 1.314 -0.958 0 N-CA-C 105.686 -1.968 . . . . 1.72 105.686 173.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 50.1 Cg_exo -34.61 126.67 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.607 2.204 . . . . 0.69 113.649 -148.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HB1' HG21 ' A' ' 107' ' ' ILE . . . -39.18 132.76 1.33 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 125.096 1.498 . . . . 1.1 112.33 -166.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -118.08 146.57 44.01 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.31 0.576 . . . . 0.69 110.286 -174.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -103.53 128.33 50.77 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.059 -0.973 . . . . 1.22 108.841 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 37' ' ' VAL . 5.0 m -119.25 107.62 13.64 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 120.666 -0.414 . . . . 1.06 110.917 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.496 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.2 t90 -88.46 119.13 28.61 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.902 -1.148 . . . . 0.22 107.902 168.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.567 ' CB ' HG21 ' A' ' 37' ' ' VAL . 17.9 ptt180 -129.34 128.17 42.56 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 115.873 -0.603 . . . . 2.49 110.096 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.46 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 79.9 p -62.79 149.4 44.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.446 -0.797 . . . . 0.97 110.549 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.448 HG23 ' HA2' ' A' ' 14' ' ' GLY . 16.5 p -59.48 -29.1 67.59 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.046 -0.525 . . . . 1.28 111.648 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 1.8 p-10 -71.33 -19.25 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 2.57 111.349 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.81 6.69 69.55 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.957 -0.64 . . . . 1.41 113.117 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 5.9 t70 -88.8 -50.95 5.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.929 0.395 . . . . 2.64 111.101 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.558 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 9.8 mttp -88.61 126.8 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.546 . . . . 1.81 111.571 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 30' ' ' ARG . 3.5 t -138.41 125.23 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.738 -0.838 . . . . 1.53 108.738 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' THR . 19.2 m-70 -128.4 117.22 21.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.784 -0.451 . . . . 0.38 109.784 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -105.71 116.33 31.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.728 0.775 . . . . 1.03 112.046 -173.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 45' ' ' ILE . 54.4 t -102.01 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.685 -1.143 . . . . 1.09 110.3 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.43 118.11 14.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.028 -0.73 . . . . 1.3 109.028 175.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.2 -17.41 63.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.02 -0.991 . . . . 1.86 113.368 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 t -71.4 -9.23 57.83 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.045 -0.262 . . . . 1.37 111.193 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 3.14 42.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.059 0.457 . . . . 1.05 110.467 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 36.7 mm -100.05 145.24 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.823 -0.626 . . . . 1.07 111.916 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t70 -103.32 -48.82 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.419 -0.81 . . . . 0.7 111.123 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.558 ' HB3' HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -136.67 172.81 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 2.16 109.979 -174.603 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.7 pt? -145.17 150.38 36.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.051 -0.522 . . . . 1.98 109.6 166.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 56.9 mt-30 -126.24 148.14 49.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.991 -0.374 . . . . 2.28 109.991 -177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.43 134.86 24.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.202 -0.454 . . . . 1.17 110.198 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 1.15 111.754 -177.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 31.0 mmmt . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 121.352 0.596 . . . . 2.71 112.09 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.594 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -102.7 113.08 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.244 -0.889 . . . . 1.6 110.431 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.5 tpp -141.12 139.01 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.26 111.498 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -121.08 154.9 35.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.845 -0.616 . . . . 1.23 109.609 170.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 80.6 mtt180 -126.09 150.58 48.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.168 -0.469 . . . . 2.99 111.068 171.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.595 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.1 mm? -111.17 114.46 27.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.354 -0.98 . . . . 1.45 108.354 168.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -99.11 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.586 -0.524 . . . . 1.24 109.586 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.75 156.32 53.4 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.127 -1.035 . . . . 0.37 112.812 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 23.6 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 1.67 111.187 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 109.164 -0.68 . . . . 2.53 109.164 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.477 ' HG2' HD11 ' A' ' 63' ' ' ILE . 97.3 mtt180 -103.27 162.99 12.53 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.859 0.838 . . . . 2.89 112.551 -174.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 83.0 m-70 -136.05 127.61 28.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.927 -1.488 . . . . 0.71 108.103 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.0 ttm -118.54 136.98 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.044 -0.662 . . . . 1.33 111.628 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.595 ' CE2' HD21 ' A' ' 62' ' ' LEU . 3.2 m-85 -128.7 129.96 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.316 -0.856 . . . . 1.18 111.606 -175.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 14.4 t -100.44 129.21 46.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 1.5 110.012 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.793 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 95.5 m-85 -109.69 179.77 4.03 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.463 -0.569 . . . . 0.4 109.463 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -120.2 20.88 11.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.252 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.629 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.3 t-20 -166.92 138.34 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.597 0.237 . . . . 1.62 110.54 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.0 OUTLIER -80.03 -24.1 41.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.981 0.363 . . . . 4.27 111.981 -176.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.629 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 19.2 m -64.56 -44.57 90.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.357 -0.609 . . . . 1.1 109.357 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -51.78 -53.18 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 115.716 -0.674 . . . . 1.07 109.985 169.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.1 mtp -43.5 -64.99 0.55 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.603 0.565 . . . . 1.36 112.297 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 101' ' ' LYS . 38.9 t70 -55.29 -35.33 64.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.734 0.302 . . . . 0.67 111.615 -174.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -69.36 -57.4 5.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 1.55 110.902 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 104' ' ' LEU . 50.3 mm -56.44 -46.01 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.012 -0.366 . . . . 1.07 110.012 176.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 39.0 mtpt -47.08 -63.75 0.96 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.432 0.634 . . . . 1.55 110.685 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.5 mtm -58.43 -49.82 75.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.6 -1.182 . . . . 1.92 112.01 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.402 HG21 ' HA ' ' A' ' 3' ' ' HIS . 93.8 m -49.84 -52.11 34.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.144 0.497 . . . . 1.07 111.106 -178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -70.88 -53.38 15.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.507 -0.77 . . . . 1.69 109.683 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.479 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -49.4 -48.87 46.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.43 -0.805 . . . . 2.1 111.978 -176.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 56.3 mt-30 -64.15 -45.99 86.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.782 -0.19 . . . . 2.91 111.313 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.525 HG21 ' HB1' ' A' ' 25' ' ' ALA . 72.3 mt -65.21 -42.98 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.16 110.374 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.449 HD11 HD23 ' A' ' 48' ' ' LEU . 96.4 mt -57.58 -44.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.14 109.889 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.2 t -59.84 -34.33 72.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.756 -0.656 . . . . 1.9 110.725 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.7 mtt180 -60.8 -38.36 85.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 3.42 110.864 177.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.503 ' CE2' HG23 ' A' ' 107' ' ' ILE . 23.1 m-85 . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.257 0.551 . . . . 3.1 110.123 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.457 ' HA ' HG22 ' A' ' 103' ' ' THR . 63.3 m80 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 113.321 0.86 . . . . 1.21 113.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 35.5 p -141.99 162.93 34.24 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 113.232 0.827 . . . . 0.91 113.232 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.64 152.84 7.34 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.057 -1.429 . . . . 0.17 110.972 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.98 116.97 8.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.324 0.583 . . . . 1.07 112.512 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.811 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -126.32 176.13 7.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.901 -1.045 . . . . 1.05 110.037 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.616 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -131.25 137.25 56.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.555 0.217 . . . . 1.08 110.701 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 42.5 t80 -150.27 132.93 15.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.099 -0.704 . . . . 0.45 109.099 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.649 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 55.0 mt-10 63.11 40.68 8.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.126 0.489 . . . . 1.33 111.766 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.7 mptp? 62.68 5.29 1.66 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.94 -1.027 . . . . 2.85 113.416 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.68 148.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.375 -0.602 . . . . 1.04 109.375 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.616 ' HA ' HG13 ' A' ' 8' ' ' ILE . 12.7 t -97.2 156.01 16.6 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.791 -0.64 . . . . 1.8 111.519 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.4 -149.27 7.49 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.428 -0.805 . . . . 0.22 112.698 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -122.04 143.08 35.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.622 -0.51 . . . . 1.05 109.622 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.633 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.11 134.11 40.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 107.235 -1.395 . . . . 1.06 107.235 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.92 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.888 0.375 . . . . 1.0 111.752 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 2.7 mp -87.27 122.29 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 1.03 109.829 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -110.72 128.86 55.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 1.36 110.95 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -122.97 72.32 1.09 Allowed 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 107.736 -1.209 . . . . 1.47 107.736 167.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -111.34 -23.4 10.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.076 1.417 . . . . 3.67 108.335 167.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 m -107.66 -169.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 112.075 -2.329 . . . . 1.47 111.745 -163.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.78 170.66 13.43 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 104.823 -2.288 . . . . 1.72 104.823 172.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -31.88 126.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.919 2.413 . . . . 0.69 114.09 -147.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' HG23 ' A' ' 107' ' ' ILE . . . -40.4 139.22 0.79 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 113.381 -1.736 . . . . 1.1 112.349 -166.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.2 mt-10 -114.09 151.47 32.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.111 -0.495 . . . . 0.69 110.036 -176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -104.44 128.41 52.33 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.88 -1.156 . . . . 1.22 107.88 170.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -124.04 107.72 11.6 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.126 -0.488 . . . . 1.06 110.661 -172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.54 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.9 t90 -92.15 124.24 36.09 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.948 -0.76 . . . . 0.22 108.948 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.753 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.0 ptt180 -128.1 123.64 35.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.922 -0.581 . . . . 2.49 110.545 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 62.1 p -58.66 143.19 47.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.451 0.643 . . . . 0.97 111.267 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 5.8 t -78.64 -7.49 57.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.642 1.21 . . . . 1.28 107.783 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 21.28 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.219 -1.809 . . . . 2.57 112.9 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 23.91 5.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.847 -1.168 . . . . 1.41 113.776 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 t70 71.9 66.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.036 0.922 . . . . 2.64 112.76 165.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.753 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 33.3 tttp -90.43 118.06 29.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.586 -1.264 . . . . 1.81 107.586 165.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 30' ' ' ARG . 16.4 t -112.85 130.3 66.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 121.315 0.579 . . . . 1.53 111.735 -167.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.644 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.7 m-70 -131.95 121.35 23.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.331 -0.988 . . . . 0.38 108.331 175.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 26' ' ' GLU . 1.5 m -111.23 134.8 52.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.286 0.565 . . . . 1.03 111.718 -170.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 38.8 t -122.34 104.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 1.09 111.079 -175.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.53 115.72 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.253 -0.647 . . . . 1.3 109.253 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.25 -21.27 66.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.89 1.07 . . . . 1.86 113.89 -169.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 p -67.69 -18.28 64.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.37 111.012 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -97.56 8.97 43.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.203 -0.453 . . . . 1.05 110.332 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.457 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.6 mm -104.45 138.47 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 116.058 -0.519 . . . . 1.07 110.139 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -98.94 -45.64 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.002 0.43 . . . . 0.7 110.834 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HB3' HG13 ' A' ' 63' ' ' ILE . 6.1 mmtt -133.78 175.34 9.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.403 0.621 . . . . 2.16 110.547 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 134.39 21.79 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.077 -0.965 . . . . 1.98 109.36 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 51.7 mt-30 -123.78 139.82 53.6 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.85 -0.614 . . . . 2.28 110.453 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB1' ' HE2' ' A' ' 101' ' ' LYS . . . -138.98 154.41 48.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.449 -0.341 . . . . 1.17 110.463 -177.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 1.15 111.743 -179.481 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 15.4 ptpt . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.27 0.557 . . . . 2.71 111.164 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.462 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 23.2 mtm -118.67 112.98 20.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.698 . . . . 1.6 110.951 -171.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -140.91 142.28 34.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.593 -0.731 . . . . 1.26 111.214 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 143.57 50.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.695 -0.684 . . . . 1.23 109.427 168.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 60.4 mtt180 -119.98 146.05 46.21 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.639 -0.71 . . . . 2.99 110.965 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -109.65 107.51 17.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.452 -1.249 . . . . 1.45 108.083 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.606 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.8 mm -88.89 99.19 8.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 108.733 -0.84 . . . . 1.24 108.733 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.27 152.29 52.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.234 -0.984 . . . . 0.37 112.953 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttt . . . . . 0 CA--C 1.504 -0.797 0 CA-C-O 121.729 0.776 . . . . 1.67 112.022 -178.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.426 -0.583 . . . . 2.53 109.426 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 86' ' ' ARG . 49.8 mtt85 -97.36 150.36 21.07 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.846 0.831 . . . . 2.89 112.205 -175.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.585 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 55.7 m-70 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 113.985 -1.461 . . . . 0.71 108.15 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.8 ttm -116.39 130.08 56.58 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.211 -0.595 . . . . 1.33 111.349 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -125.22 138.75 54.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 1.18 110.143 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 5.2 t -110.65 134.23 52.62 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.42 -0.355 . . . . 1.5 110.963 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.811 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 53.1 m-85 -113.84 177.28 4.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.168 0.509 . . . . 0.4 109.802 173.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -134.72 21.65 3.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.52 -0.764 . . . . 1.58 110.278 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -140.46 125.01 17.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.753 -0.832 . . . . 1.62 108.753 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.418 ' HD2' ' HA ' ' A' ' 94' ' ' ARG . 10.6 tpt180 -70.61 -39.32 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 4.27 111.469 -168.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.5 m -61.51 -46.5 89.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.335 -0.393 . . . . 1.1 110.234 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.2 t -47.73 -60.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 1.07 111.55 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.687 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptm -58.83 -48.71 80.37 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.359 -0.536 . . . . 1.36 111.538 -174.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.687 ' N ' ' HG3' ' A' ' 97' ' ' MET . 35.3 t70 -59.18 -36.65 75.71 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.837 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.28 -49.17 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 1.55 110.321 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 96' ' ' VAL . 46.2 mm -54.94 -44.29 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.255 0.55 . . . . 1.07 109.61 172.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 97' ' ' MET . 19.5 ttmt -47.34 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.527 -1.215 . . . . 1.55 110.34 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -58.49 -47.65 83.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.505 -1.225 . . . . 1.92 111.76 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 3' ' ' HIS . 99.4 m -49.75 -50.97 42.36 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.531 0.52 . . . . 1.07 110.948 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.55 -55.75 9.27 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.804 -0.634 . . . . 1.69 111.035 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -50.49 -46.98 57.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.635 -1.166 . . . . 2.1 111.86 -176.45 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 82.7 mm-40 -68.92 -42.54 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 2.91 111.777 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 25' ' ' ALA . 73.1 mt -62.98 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.735 -0.386 . . . . 1.16 110.038 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.16 -47.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 1.14 110.148 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.1 t -63.07 -31.69 72.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.644 -0.707 . . . . 1.9 110.986 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.6 mtt180 -63.3 -37.35 86.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.929 0.395 . . . . 3.42 110.725 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 3.1 110.02 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.493 ' HA ' HG22 ' A' ' 103' ' ' THR . 71.0 m80 . . . . . 0 C--O 1.222 -0.355 0 N-CA-C 113.652 0.982 . . . . 1.21 113.652 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.588 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 10.7 p -148.92 160.14 43.54 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.051 0.76 . . . . 0.91 113.051 -174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.49 153.44 9.66 Favored Glycine 0 N--CA 1.441 -1.012 0 CA-C-N 114.0 -1.454 . . . . 0.17 110.27 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.38 115.0 6.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.289 0.566 . . . . 1.07 111.95 -173.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.787 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -123.97 175.5 6.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 1.05 110.181 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.2 138.71 52.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.306 . . . . 1.08 110.175 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.619 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.9 t80 -148.83 127.13 12.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.198 -0.667 . . . . 0.45 109.198 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.619 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.0 mt-10 67.49 40.7 2.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.219 0.533 . . . . 1.33 110.91 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.79 -7.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.727 -1.124 . . . . 2.85 113.407 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 10' ' ' GLU . 2.5 p -98.91 146.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 1.04 109.599 175.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.622 ' HA ' HG13 ' A' ' 8' ' ' ILE . 25.3 t -97.24 156.82 16.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.399 -0.818 . . . . 1.8 111.691 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.47 -145.07 5.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 114.74 -1.118 . . . . 0.22 111.475 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.26 145.16 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.952 -0.388 . . . . 1.05 109.952 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.1 132.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.243 -1.392 . . . . 1.06 107.243 170.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.52 111.16 6.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.811 0.339 . . . . 1.0 111.709 -171.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.59 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.1 mp -89.99 124.25 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.367 0.603 . . . . 1.03 110.581 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -106.89 125.98 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.86 -1.064 . . . . 1.36 110.626 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -124.22 73.52 1.24 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.818 -0.753 . . . . 1.47 108.992 168.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -112.73 -22.69 10.59 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 122.984 1.374 . . . . 3.67 108.436 162.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 -170.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 112.104 -2.316 . . . . 1.47 111.871 -160.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 27.4 p -74.22 170.62 14.01 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 105.773 -1.936 . . . . 1.72 105.773 173.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.554 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -33.73 126.49 0.16 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.715 2.277 . . . . 0.69 113.848 -145.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB2' HG23 ' A' ' 107' ' ' ILE . . . -40.67 133.16 2.07 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.864 -1.516 . . . . 1.1 112.105 -166.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.92 149.22 39.06 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-O 121.339 0.59 . . . . 0.69 110.361 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 16' ' ' ILE . 1.2 tt -103.1 129.38 49.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.12 -0.945 . . . . 1.22 108.886 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -122.0 107.41 12.2 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 116.199 -0.455 . . . . 1.06 111.019 -171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.527 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 83.1 t90 -91.85 124.49 36.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.818 -0.753 . . . . 0.22 108.979 172.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.727 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -128.45 133.95 48.64 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.602 -0.726 . . . . 2.49 109.776 176.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.434 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 94.5 p -62.2 164.05 7.45 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.557 0.536 . . . . 0.97 110.966 -175.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -57.31 -32.66 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.982 0.42 . . . . 1.28 111.119 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.52 -30.52 70.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 2.57 110.584 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.69 2.1 58.66 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.783 -0.644 . . . . 1.41 112.53 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -86.87 -55.86 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.717 0.294 . . . . 2.64 111.766 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.727 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 18.4 tttt -72.38 118.63 15.52 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.621 -0.511 . . . . 1.81 109.621 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 30' ' ' ARG . 4.5 t -132.16 132.55 60.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.771 -0.649 . . . . 1.53 109.439 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.614 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.9 m-70 -132.53 121.17 22.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.736 -0.838 . . . . 0.38 108.736 177.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 119.37 38.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.576 0.703 . . . . 1.03 112.14 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 HD12 ' A' ' 45' ' ' ILE . 29.6 t -106.59 102.16 13.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.693 -1.139 . . . . 1.09 110.714 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.92 118.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 1.3 109.413 175.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 25' ' ' ALA . 81.9 mt -64.64 -14.32 57.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.717 -1.129 . . . . 1.86 113.137 -169.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.554 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 23.1 t -66.13 -23.42 66.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.945 0.402 . . . . 1.37 110.95 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -93.01 -3.42 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.691 . . . . 1.05 110.042 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.4 mm -94.74 136.87 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.966 -1.015 . . . . 1.07 110.186 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -92.66 -50.06 5.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.926 -0.398 . . . . 0.7 109.926 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HB3' HG13 ' A' ' 63' ' ' ILE . 47.4 tptt -134.32 167.78 20.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.426 0.631 . . . . 2.16 110.593 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -143.26 152.61 41.9 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.439 -0.948 . . . . 1.98 108.439 166.574 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -155.67 148.8 24.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.739 -0.664 . . . . 2.28 110.277 -170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.602 ' HB3' ' CE ' ' A' ' 97' ' ' MET . . . -111.9 167.57 10.27 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.475 -0.33 . . . . 1.17 110.322 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.4 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 1.15 111.53 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt . . . . . 0 C--O 1.235 0.309 0 CA-C-O 121.31 0.576 . . . . 2.71 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.606 ' HB3' ' SD ' ' A' ' 97' ' ' MET . 1.3 mpt? -103.04 124.67 48.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.621 -0.718 . . . . 1.6 110.711 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.45 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -153.39 139.76 18.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.733 -0.667 . . . . 1.26 111.289 -176.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.75 142.44 45.38 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.466 -0.568 . . . . 1.23 109.466 168.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 65.4 mtm180 -105.34 144.55 31.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.74 -0.664 . . . . 2.99 111.492 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -113.12 103.66 11.58 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.715 -1.13 . . . . 1.45 109.138 170.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.98 100.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 110.133 -0.321 . . . . 1.24 110.133 -175.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.62 150.67 45.21 Favored Glycine 0 C--N 1.319 -0.388 0 C-N-CA 120.206 -0.997 . . . . 0.37 111.955 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mttt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 121.98 0.895 . . . . 1.67 111.87 -177.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 121.445 0.64 . . . . 2.53 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 4.0 ptt-85 -117.25 157.02 26.75 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.228 -0.896 . . . . 2.89 111.07 -172.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 70.8 m-70 -118.1 134.14 55.26 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.419 -0.956 . . . . 0.71 108.419 -176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.48 ' HG2' ' HG2' ' A' ' 61' ' ' ARG . 54.1 mtt -117.44 124.23 48.32 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.626 -0.429 . . . . 1.33 111.434 -176.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.16 132.59 55.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 1.18 109.592 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 7.6 t -99.75 132.82 44.85 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 120.932 0.396 . . . . 1.5 111.582 -174.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.787 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 73.9 m-85 -112.74 179.5 3.96 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.799 -0.815 . . . . 0.4 108.799 172.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.6 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 5.6 p30 -131.52 31.28 4.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.256 0.55 . . . . 1.58 110.464 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -157.06 124.98 5.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.243 -0.651 . . . . 1.62 109.243 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -68.42 -31.49 70.86 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.292 -0.413 . . . . 4.27 110.649 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.6 m -59.45 -53.11 61.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.066 -0.516 . . . . 1.1 110.083 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.07 -48.95 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.756 -0.656 . . . . 1.07 110.734 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.606 ' SD ' ' HB3' ' A' ' 58' ' ' MET . 31.3 mtp -50.28 -48.42 54.99 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.36 111.953 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.577 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 24.1 t70 -69.07 -37.3 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.67 110.905 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -53.76 50.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.369 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.787 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.8 mm -62.09 -40.29 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 1.07 109.989 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 31.0 mtmt -51.72 -63.69 1.05 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.042 0.448 . . . . 1.55 110.405 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.7 ttp -55.36 -47.94 75.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.934 -1.03 . . . . 1.92 112.212 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 3' ' ' HIS . 90.5 m -52.81 -55.95 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 1.07 111.111 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 100' ' ' ILE . 1.8 mp -69.14 -48.63 61.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.713 -0.676 . . . . 1.69 109.215 -174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 16.3 tm0? -48.75 -54.39 15.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.871 -1.058 . . . . 2.1 111.915 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.1 mm100 -65.74 -47.38 75.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.155 0.428 . . . . 2.91 112.155 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 25' ' ' ALA . 49.0 mt -62.7 -43.56 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 1.16 110.27 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.2 mt -57.66 -47.79 84.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 1.14 110.597 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.0 m -66.35 -25.66 66.92 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.928 -0.578 . . . . 1.9 111.571 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.4 mtt180 -60.8 -34.0 73.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.118 0.485 . . . . 3.42 110.037 172.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 3.1 110.542 -179.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.3 m80 . . . . . 0 CA--C 1.515 -0.377 0 N-CA-C 111.625 0.232 . . . . 1.21 111.625 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.8 p -143.87 163.18 34.12 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.652 0.739 . . . . 0.91 112.81 -174.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.73 150.59 8.11 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.128 -1.396 . . . . 0.17 110.223 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.76 123.28 19.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.359 0.599 . . . . 1.07 111.592 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.66 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -133.68 174.05 10.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.918 -1.037 . . . . 1.05 110.164 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.629 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.47 138.85 52.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.464 0.306 . . . . 1.08 110.312 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 37.8 t80 -147.5 133.63 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.99 -0.744 . . . . 0.45 108.99 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 43.3 mt-10 61.83 37.94 15.08 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.289 0.566 . . . . 1.33 111.187 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.35 0.14 1.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.701 -1.136 . . . . 2.85 113.08 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.34 147.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.48 -0.563 . . . . 1.04 109.48 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.629 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t -96.5 155.25 16.85 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.612 -0.722 . . . . 1.8 111.763 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.55 -150.3 7.65 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.006 -0.997 . . . . 0.22 111.589 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.01 145.83 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 1.05 109.821 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.6 133.82 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.315 -1.365 . . . . 1.06 107.315 172.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.95 107.72 5.37 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -85.51 125.1 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.305 -0.628 . . . . 1.03 109.305 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -117.57 122.11 42.76 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.587 -0.733 . . . . 1.36 111.225 -172.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -118.96 71.61 0.86 Allowed 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 108.037 -1.097 . . . . 1.47 108.037 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -112.64 -23.17 10.37 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.221 1.486 . . . . 3.67 108.482 165.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.49 -168.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 111.759 -2.473 . . . . 1.47 111.62 -161.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 m -72.52 170.49 12.89 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 105.596 -2.002 . . . . 1.72 105.596 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -34.31 126.76 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.77 2.313 . . . . 0.69 113.596 -148.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG23 ' A' ' 107' ' ' ILE . . . -39.06 134.89 0.99 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 113.817 -1.538 . . . . 1.1 112.484 -166.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.77 151.24 41.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.084 0.469 . . . . 0.69 110.354 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -103.09 128.71 49.88 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.537 -0.912 . . . . 1.22 108.537 177.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -121.99 107.81 12.67 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 116.104 -0.498 . . . . 1.06 110.895 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 78.9 t90 -90.18 128.26 36.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.97 -0.752 . . . . 0.22 108.97 173.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.647 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 2.6 ptt85 -132.52 126.63 33.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.116 -0.493 . . . . 2.49 110.738 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -59.03 151.37 22.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 0.97 110.339 -177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -56.9 -23.71 46.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.464 -0.789 . . . . 1.28 112.41 -170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.53 -28.59 59.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.082 0.467 . . . . 2.57 110.836 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.28 16.2 33.11 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.998 -0.546 . . . . 1.41 112.186 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.69 -55.37 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 2.64 111.686 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.6 tttp -90.16 120.35 31.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.445 0.64 . . . . 1.81 110.95 -171.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.2 t -131.12 132.61 63.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.698 -1.137 . . . . 1.53 109.759 -175.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 8.6 m-70 -132.7 123.4 26.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.765 -0.828 . . . . 0.38 108.765 176.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.74 128.46 55.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.373 0.606 . . . . 1.03 111.627 -172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -116.37 101.25 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 1.09 110.588 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.41 120.9 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.174 -0.676 . . . . 1.3 109.174 175.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 25' ' ' ALA . 81.9 mt -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.059 -0.973 . . . . 1.86 113.477 -165.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -67.3 -10.52 51.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.693 0.282 . . . . 1.37 111.649 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -96.03 -7.01 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.708 0.289 . . . . 1.05 110.628 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.5 mm -100.26 142.25 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-O 121.213 0.53 . . . . 1.07 111.479 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 13.4 t70 -106.03 -48.77 3.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.274 -0.875 . . . . 0.7 111.08 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HB3' HG13 ' A' ' 63' ' ' ILE . 43.1 tptt -134.32 173.77 11.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.529 0.681 . . . . 2.16 110.703 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.553 HD12 ' HG2' ' A' ' 105' ' ' GLN . 4.4 mp -129.29 157.69 41.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.084 -0.962 . . . . 1.98 109.751 171.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.578 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -130.68 138.28 49.97 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.12 -0.946 . . . . 2.28 108.695 173.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.697 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -142.68 134.61 27.05 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.299 -0.409 . . . . 1.17 110.031 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.574 -0.739 . . . . 1.15 111.819 -176.676 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.778 0.323 . . . . 2.71 111.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 91' ' ' PHE . 3.1 mpp? -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.173 -0.467 . . . . 1.6 110.383 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 tpp -152.19 134.26 14.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.26 111.873 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.449 ' CD2' ' HE1' ' A' ' 97' ' ' MET . 0.5 OUTLIER -115.96 146.91 41.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 1.23 109.419 171.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . 60.4 mtt180 -120.89 147.84 44.86 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.119 0.485 . . . . 2.99 110.091 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 2.7 mm? -111.98 102.25 10.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.149 -0.932 . . . . 1.45 108.531 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.3 mm -87.54 100.42 10.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 120.651 -0.42 . . . . 1.24 110.579 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -65.81 152.26 51.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.425 -0.893 . . . . 0.37 112.452 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 21.3 mtpt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.077 0.465 . . . . 1.67 110.255 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 108.741 -0.837 . . . . 2.53 108.741 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.3 ptt180 -123.02 154.6 38.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.902 -0.59 . . . . 2.89 111.228 -170.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 87.2 m-70 -102.4 156.09 17.82 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.932 -0.766 . . . . 0.71 108.932 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.9 ttm -131.0 131.51 44.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.655 -0.418 . . . . 1.33 110.95 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.52 141.15 49.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 1.18 110.364 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.9 t -109.44 133.06 53.54 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 110.433 -0.21 . . . . 1.5 110.433 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.66 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 58.5 m-85 -112.42 178.36 4.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.4 109.578 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.22 7.46 12.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.983 -0.553 . . . . 1.58 111.519 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.29 138.72 33.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.624 0.249 . . . . 1.62 110.886 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.423 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 3.3 mpt_? -67.4 -38.86 85.3 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.037 -0.528 . . . . 4.27 110.676 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 m -60.5 -50.02 75.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.055 -0.521 . . . . 1.1 110.657 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.99 -53.03 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.061 -0.518 . . . . 1.07 110.731 173.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 25.9 mtp -46.83 -58.47 3.88 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 112.155 0.428 . . . . 1.36 112.155 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.0 t70 -67.04 -36.95 83.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.408 -0.36 . . . . 0.67 111.368 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -66.95 -53.24 33.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.462 -0.335 . . . . 1.55 110.581 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.08 -41.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 1.07 109.945 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.697 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 39.4 mtmt -50.53 -61.6 2.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.071 0.462 . . . . 1.55 110.787 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -60.47 -47.42 86.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 1.92 111.736 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 107' ' ' ILE . 94.7 m -52.85 -52.6 56.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.299 -0.41 . . . . 1.07 110.7 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' HD21 ' A' ' 48' ' ' LEU . 63.5 mt -60.88 -59.72 4.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.75 -0.659 . . . . 1.69 111.275 177.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.553 ' HG2' HD12 ' A' ' 48' ' ' LEU . 11.1 tm0? -53.14 -45.9 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.834 -1.075 . . . . 2.1 112.743 -172.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.8 mm100 -66.94 -42.66 84.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.82 0.304 . . . . 2.91 111.82 -177.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 25' ' ' ALA . 52.1 mt -66.58 -41.0 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.67 -0.493 . . . . 1.16 109.67 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.457 HD12 HD11 ' A' ' 48' ' ' LEU . 31.0 mt -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.711 -0.677 . . . . 1.14 110.209 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 m -61.57 -29.48 70.05 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.752 -0.658 . . . . 1.9 111.365 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 98.6 mtt180 -68.37 -28.41 67.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.707 0.289 . . . . 3.42 111.308 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.461 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.2 m-85 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.66 0.743 . . . . 3.1 109.673 176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.9 m80 . . . . . 0 C--O 1.225 -0.235 0 N-CA-C 111.667 0.247 . . . . 1.21 111.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 23.0 p -147.92 165.79 29.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.847 0.832 . . . . 0.91 113.119 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.24 8.58 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 114.026 -1.443 . . . . 0.17 110.108 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.51 116.36 8.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.309 0.576 . . . . 1.07 111.867 -173.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.812 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -124.77 175.86 6.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.134 -0.939 . . . . 1.05 110.156 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.47 138.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.968 -0.382 . . . . 1.08 109.968 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.604 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.6 t80 -148.78 128.9 13.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.623 -0.51 . . . . 0.45 109.623 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.604 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.8 mt-10 64.13 41.86 5.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.482 0.658 . . . . 1.33 110.992 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.44 0.48 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.398 -1.274 . . . . 2.85 113.257 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 13' ' ' SER . 2.5 p -108.7 147.85 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.33 -0.618 . . . . 1.04 109.33 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.6 m -94.34 156.82 16.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.988 -0.551 . . . . 1.8 111.624 -177.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -174.22 -148.97 6.8 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.712 . . . . 0.22 111.776 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.58 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.53 145.29 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.751 -0.462 . . . . 1.05 109.751 174.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.34 134.56 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.442 -1.318 . . . . 1.06 107.442 172.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.62 110.37 6.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.825 0.345 . . . . 1.0 111.871 -171.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.621 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -90.17 128.13 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.177 0.513 . . . . 1.03 110.253 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -117.01 120.41 38.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.44 -0.8 . . . . 1.36 111.02 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -116.74 71.34 0.79 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 107.721 -1.214 . . . . 1.47 107.721 168.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -112.35 -20.42 11.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 123.269 1.509 . . . . 3.67 108.186 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 m -110.14 -169.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 111.782 -2.463 . . . . 1.47 111.685 -163.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 36.4 p -73.08 170.1 15.11 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 105.437 -2.06 . . . . 1.72 105.437 172.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 72.3 Cg_exo -33.22 126.55 0.13 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.789 2.326 . . . . 0.69 114.01 -147.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 107' ' ' ILE . . . -34.21 129.27 0.38 Allowed 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 125.492 1.745 . . . . 1.1 112.47 -169.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.5 mt-10 -115.33 144.34 43.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.942 -0.703 . . . . 0.69 109.534 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 16' ' ' ILE . 1.1 tt -103.41 127.4 50.79 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.212 -0.904 . . . . 1.22 108.784 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.5 m -119.05 108.03 14.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.792 -0.64 . . . . 1.06 110.83 -171.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.5 t90 -92.48 124.99 36.92 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.045 -0.724 . . . . 0.22 109.045 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.2 ptt-85 -127.21 128.5 46.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.86 -0.609 . . . . 2.49 110.556 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.6 p -59.69 151.89 23.92 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.596 -0.729 . . . . 0.97 109.929 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 p -57.77 -21.75 43.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.347 0.499 . . . . 1.28 112.347 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.36 -28.77 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 2.57 110.659 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.25 3.11 55.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.137 -0.554 . . . . 1.41 112.434 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.33 -47.23 8.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.64 111.618 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.8 tttp -93.02 120.74 33.64 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.26 0.553 . . . . 1.81 110.994 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 30' ' ' ARG . 2.7 t -134.96 135.41 52.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 114.941 -1.027 . . . . 1.53 109.589 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -135.56 126.5 27.68 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.078 -0.712 . . . . 0.38 109.078 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -111.87 117.85 33.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.734 0.778 . . . . 1.03 111.609 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 39.8 t -103.27 102.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.65 -1.159 . . . . 1.09 110.431 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.25 110.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.708 0.766 . . . . 1.3 109.287 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -49.69 -31.76 11.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 115.166 1.543 . . . . 1.86 115.166 -172.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 m -63.36 -4.35 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 119.303 0.956 . . . . 1.37 112.365 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -101.76 -3.22 28.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.628 -0.508 . . . . 1.05 109.628 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.456 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 19.7 mm -91.99 146.27 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.564 -0.744 . . . . 1.07 109.939 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -103.48 -43.06 5.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.167 0.508 . . . . 0.7 110.354 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 21.1 tptm -143.94 171.35 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.849 -0.614 . . . . 2.16 109.964 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.584 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 1.5 pt? -132.31 149.15 52.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.688 -0.856 . . . . 1.98 108.688 166.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -135.29 139.15 44.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.637 -0.505 . . . . 2.28 109.637 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB2' ' HE3' ' A' ' 101' ' ' LYS . . . -122.41 150.05 42.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.439 -0.346 . . . . 1.17 110.087 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.512 0.56 . . . . 1.15 112.512 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.037 0.446 . . . . 2.71 110.628 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.501 ' HG3' ' CG ' ' A' ' 97' ' ' MET . 3.3 mpp? -70.22 118.14 12.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.801 -0.636 . . . . 1.6 110.145 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.445 ' O ' ' HE2' ' A' ' 97' ' ' MET . 12.0 tpp -152.93 136.83 16.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 1.26 111.682 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.4 mm? -121.44 146.03 47.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.319 -0.623 . . . . 1.23 109.319 169.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -116.78 142.47 46.87 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.31 0.576 . . . . 2.99 111.384 174.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -105.56 108.12 19.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.932 -1.136 . . . . 1.45 107.932 173.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 47' ' ' LYS . 1.9 mm -87.98 97.98 7.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.661 -0.866 . . . . 1.24 108.661 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.84 147.02 42.62 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 119.943 -1.122 . . . . 0.37 111.862 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.3 mttt . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.825 0.822 . . . . 1.67 112.218 -177.261 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.139 0.495 . . . . 2.53 109.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.514 ' CG ' HD13 ' A' ' 63' ' ' ILE . 17.2 mtm180 -102.67 134.93 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 112.918 0.71 . . . . 2.89 112.918 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 12.7 m-70 -102.71 119.55 39.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.101 -1.444 . . . . 0.71 107.101 173.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 34.1 ttm -110.05 128.38 55.39 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.237 -0.585 . . . . 1.33 110.904 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' HD22 ' A' ' 62' ' ' LEU . 27.8 m-85 -124.69 137.5 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.18 110.122 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.0 t -105.11 134.3 48.45 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.582 -0.281 . . . . 1.5 110.86 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.812 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 90.6 m-85 -111.87 178.17 4.41 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.085 -0.709 . . . . 0.4 109.085 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -135.69 26.94 3.36 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.884 -0.598 . . . . 1.58 110.704 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.22 139.68 35.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.62 110.192 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -71.09 -37.45 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 4.27 110.869 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.6 m -72.14 -47.23 52.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 1.1 111.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.9 t -47.08 -46.98 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.181 -0.463 . . . . 1.07 111.223 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.501 ' CG ' ' HG3' ' A' ' 58' ' ' MET . 65.8 mmm -44.24 -65.64 0.49 Allowed 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.432 0.458 . . . . 1.36 112.23 172.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.46 -35.43 72.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.522 0.514 . . . . 0.67 111.241 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -67.2 -59.41 3.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.433 -0.349 . . . . 1.55 110.749 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.7 mm -58.21 -41.52 81.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 116.42 -0.354 . . . . 1.07 110.114 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 48.9 mtpt -50.76 -64.33 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 1.55 110.613 175.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 106' ' ' GLN . 37.8 ttp -56.03 -50.97 69.43 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.872 -1.058 . . . . 1.92 112.27 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 m -49.95 -54.19 21.47 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.358 0.599 . . . . 1.07 111.337 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -67.41 -51.79 47.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.178 -0.919 . . . . 1.69 109.414 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -49.56 -46.76 49.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.024 -0.989 . . . . 2.1 112.27 -177.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 51.9 mt-30 -64.31 -44.7 90.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.351 0.13 . . . . 2.91 111.351 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 40.4 mt -65.26 -42.76 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 1.16 110.16 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.781 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 62.8 mt -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.833 -0.622 . . . . 1.14 109.919 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 t -58.37 -31.32 67.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.369 -0.378 . . . . 1.9 110.253 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 92.7 mtt180 -62.28 -50.25 72.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.156 -0.474 . . . . 3.42 110.516 176.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.781 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 8.6 p90 . . . . . 0 C--N 1.332 -0.17 0 C-N-CA 120.355 -0.538 . . . . 3.1 111.915 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.8 m80 . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 111.693 0.257 . . . . 1.21 111.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 37.4 p -146.06 171.38 14.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.489 0.662 . . . . 0.91 112.501 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.53 146.93 5.1 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 114.394 -1.275 . . . . 0.17 110.359 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.01 118.02 9.88 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.305 0.574 . . . . 1.07 111.477 -172.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.824 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.04 174.0 8.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.147 -0.933 . . . . 1.05 110.057 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.38 129.65 62.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.356 -0.384 . . . . 1.08 110.009 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.617 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 43.6 t80 -143.77 132.51 22.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.45 109.019 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.617 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 45.9 mt-10 66.48 29.6 9.05 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.601 0.715 . . . . 1.33 110.33 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 69.0 -0.4 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.177 -1.374 . . . . 2.85 112.95 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.421 ' CG1' ' HZ2' ' A' ' 36' ' ' LYS . 1.5 p -100.85 148.72 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.914 -0.773 . . . . 1.04 108.914 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.611 ' HA ' HG13 ' A' ' 8' ' ' ILE . 11.2 t -95.3 152.97 17.91 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.725 -0.67 . . . . 1.8 111.952 -175.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.39 -150.21 7.35 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.84 -1.073 . . . . 0.22 111.559 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.07 145.66 29.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.796 -0.446 . . . . 1.05 109.796 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.04 130.59 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 106.943 -1.503 . . . . 1.06 106.943 170.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.11 110.09 6.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 1.0 112.051 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.675 ' CD1' HD13 ' A' ' 104' ' ' LEU . 3.2 mp -91.12 123.41 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.204 0.526 . . . . 1.03 110.746 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -108.92 124.91 51.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.925 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -120.74 72.42 0.96 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 107.558 -1.275 . . . . 1.47 107.558 167.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.62 -24.35 9.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.126 1.441 . . . . 3.67 108.38 166.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.23 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 112.085 -2.325 . . . . 1.47 112.044 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.506 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 15.7 p -73.49 170.79 12.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 N-CA-C 105.684 -1.969 . . . . 1.72 105.684 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.7 Cg_exo -33.7 125.58 0.15 Allowed 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.53 2.153 . . . . 0.69 113.751 -145.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB1' HG23 ' A' ' 107' ' ' ILE . . . -38.88 132.03 1.29 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 113.651 -1.613 . . . . 1.1 112.499 -167.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 5.2 mt-10 -118.02 146.04 44.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.206 0.527 . . . . 0.69 109.965 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -103.44 129.13 50.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.406 -0.815 . . . . 1.22 109.126 -178.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.2 m -118.27 107.03 13.4 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 120.586 -0.446 . . . . 1.06 110.952 -173.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -88.45 118.95 28.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.078 -1.082 . . . . 0.22 108.078 169.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' CB ' HG21 ' A' ' 37' ' ' VAL . 22.0 ptt180 -128.71 130.71 47.5 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.849 -0.614 . . . . 2.49 109.509 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.4 p -64.78 158.45 24.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.877 -0.602 . . . . 0.97 110.995 -171.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.2 p -55.84 -37.9 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 1.28 110.921 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.73 -29.14 69.04 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.911 -0.586 . . . . 2.57 111.438 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.89 -0.07 66.77 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.449 -0.661 . . . . 1.41 111.449 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.28 -40.73 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.124 0.487 . . . . 2.64 110.649 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HE2' ' OE1' ' A' ' 10' ' ' GLU . 14.0 mttt -95.29 130.25 42.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 1.81 110.901 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.556 HG21 ' CB ' ' A' ' 30' ' ' ARG . 3.7 t -144.06 123.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.532 -0.914 . . . . 1.53 108.532 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 28' ' ' THR . 12.4 m-70 -128.69 125.27 37.64 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.393 -0.595 . . . . 0.38 109.393 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.64 120.48 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.527 0.679 . . . . 1.03 112.109 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -104.61 101.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.869 -1.06 . . . . 1.09 110.543 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -73.54 119.26 20.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.632 0.73 . . . . 1.3 109.383 175.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.87 -13.89 62.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.024 1.12 . . . . 1.86 114.024 -165.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 p -70.97 -14.49 62.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.901 0.382 . . . . 1.37 111.1 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -92.94 -3.13 55.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.318 0.58 . . . . 1.05 109.789 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.567 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 21.1 mm -94.38 137.96 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.35 -0.841 . . . . 1.07 111.104 -177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -103.72 -42.9 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.7 110.873 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HB3' HG13 ' A' ' 63' ' ' ILE . 7.4 mmtt -135.17 176.01 9.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.584 0.707 . . . . 2.16 111.277 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.77 141.33 27.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.899 -1.046 . . . . 1.98 108.559 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 37.2 mt-30 -135.48 149.32 49.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.666 0.27 . . . . 2.28 110.357 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.533 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -139.48 147.54 41.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.557 -0.535 . . . . 1.17 109.557 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 112.022 0.378 . . . . 1.15 112.022 -176.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.303 0.573 . . . . 2.71 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -96.51 122.67 39.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.28 -0.873 . . . . 1.6 109.84 -174.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.7 tpp -149.37 138.41 21.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.736 0.303 . . . . 1.26 111.33 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 ' CG ' ' A' ' 101' ' ' LYS . 1.1 mm? -121.0 145.3 47.9 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.954 -0.566 . . . . 1.23 109.598 167.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.4 mtt180 -117.35 140.75 49.17 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.615 -0.72 . . . . 2.99 111.403 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -105.61 104.14 13.79 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.446 -1.252 . . . . 1.45 108.286 170.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 HG13 ' HB3' ' A' ' 47' ' ' LYS . 13.1 mm -87.26 99.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.112 -0.699 . . . . 1.24 109.112 -178.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.39 161.59 53.44 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.92 -0.872 . . . . 0.37 110.92 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 81.9 mttt . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 121.727 0.775 . . . . 1.67 110.083 179.065 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.382 -0.599 . . . . 2.53 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -118.17 148.28 42.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.772 0.796 . . . . 2.89 112.534 -171.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.2 m-70 -105.21 148.54 26.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.612 -1.176 . . . . 0.71 107.968 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.7 ttm -133.55 130.41 38.4 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.521 -0.471 . . . . 1.33 110.746 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE1' HD22 ' A' ' 62' ' ' LEU . 28.1 m-85 -126.8 136.14 51.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 1.18 110.604 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.493 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 46.9 m -103.18 126.7 50.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.788 -0.642 . . . . 1.5 111.884 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.824 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.5 m-85 -112.91 179.16 4.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.701 -0.481 . . . . 0.4 109.701 173.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.422 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 11.6 p30 -135.7 26.89 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.698 -0.683 . . . . 1.58 110.648 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.438 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -143.48 125.18 14.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.082 -0.71 . . . . 1.62 109.082 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -73.75 -30.59 62.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 4.27 111.009 -173.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.438 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 22.7 m -64.52 -47.92 77.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.435 -0.348 . . . . 1.1 110.17 175.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -51.44 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 115.9 -0.591 . . . . 1.07 110.353 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 13.3 mtp -45.62 -57.4 4.22 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.165 0.431 . . . . 1.36 112.165 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.614 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 29.6 t70 -63.35 -40.72 98.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.67 111.561 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -66.5 -54.58 22.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.493 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.798 ' O ' HD11 ' A' ' 104' ' ' LEU . 47.1 mm -58.18 -41.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 1.07 110.152 175.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.614 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 14.9 mtmt -49.01 -64.84 0.69 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.523 0.677 . . . . 1.55 110.581 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.3 ttp -56.88 -49.24 76.12 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.358 -1.292 . . . . 1.92 111.765 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 68.0 m -50.66 -47.22 58.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 1.07 111.251 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.798 HD11 ' O ' ' A' ' 100' ' ' ILE . 3.6 mp -79.7 -49.95 11.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.825 -0.625 . . . . 1.69 109.494 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -55.21 -44.16 75.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.531 -1.213 . . . . 2.1 111.901 -177.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.73 -44.56 89.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.379 0.133 . . . . 2.91 111.007 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.514 HG23 ' HB1' ' A' ' 25' ' ' ALA . 78.2 mt -61.94 -41.79 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.065 0.46 . . . . 1.16 110.217 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.15 -45.42 98.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.912 -0.586 . . . . 1.14 110.33 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -61.04 -37.29 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 1.9 110.529 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.65 -34.95 75.05 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.186 0.595 . . . . 3.42 111.345 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 3.1 110.673 177.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.6 m80 . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 111.806 0.299 . . . . 1.21 111.806 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.622 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 52.7 p -152.48 167.26 29.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.794 0.807 . . . . 0.91 112.727 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.94 148.94 5.79 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 114.052 -1.431 . . . . 0.17 110.311 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.89 115.94 7.2 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.274 0.559 . . . . 1.07 111.646 -173.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.79 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -124.52 177.51 5.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.86 -1.064 . . . . 1.05 109.901 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.17 138.23 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 110.32 -0.252 . . . . 1.08 110.32 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 48.2 t80 -147.35 132.86 18.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.688 -0.856 . . . . 0.45 108.688 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.9 mt-10 65.19 32.28 10.2 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.168 0.509 . . . . 1.33 110.694 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.7 mmtm 65.09 4.05 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.885 -1.052 . . . . 2.85 113.463 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.401 ' O ' HG21 ' A' ' 8' ' ' ILE . 1.9 p -104.84 148.41 9.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.876 -0.787 . . . . 1.04 108.876 171.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.612 ' HA ' HG13 ' A' ' 8' ' ' ILE . 16.2 t -95.74 154.11 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.393 0.616 . . . . 1.8 111.676 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -172.66 -150.47 7.35 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 114.755 -1.111 . . . . 0.22 111.435 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.58 144.88 29.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 1.05 109.863 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.13 129.38 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 106.975 -1.491 . . . . 1.06 106.975 171.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.41 111.64 7.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.833 0.349 . . . . 1.0 111.86 -169.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.66 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.1 mp -90.11 127.54 42.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.167 0.508 . . . . 1.03 110.521 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -114.71 119.94 38.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.363 -0.835 . . . . 1.36 110.551 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 9.4 mt-10 -122.38 72.83 1.08 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.468 -0.938 . . . . 1.47 108.468 168.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.04 -20.56 11.46 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.104 1.43 . . . . 3.67 108.185 164.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -107.47 -170.23 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 112.116 -2.311 . . . . 1.47 111.601 -161.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.483 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 9.1 p -73.56 168.84 21.71 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 105.853 -1.906 . . . . 1.72 105.853 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 49.9 Cg_exo -34.87 126.33 0.22 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.363 2.042 . . . . 0.69 113.597 -144.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.78 131.05 1.38 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 113.527 -1.67 . . . . 1.1 112.543 -166.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -117.72 148.89 41.59 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.231 0.539 . . . . 0.69 110.49 -176.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -103.11 129.85 50.09 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.381 -0.827 . . . . 1.22 108.914 179.763 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -118.52 108.02 14.48 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.187 -0.46 . . . . 1.06 111.048 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.525 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -91.76 121.39 33.35 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.689 -0.856 . . . . 0.22 108.689 171.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -125.04 128.96 49.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.979 -0.555 . . . . 2.49 110.284 177.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.419 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.1 p -60.71 156.76 16.13 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 0.97 110.279 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -59.31 -20.71 56.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.841 -0.618 . . . . 1.28 112.175 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.33 -28.45 29.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.483 . . . . 2.57 110.713 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.02 -1.43 57.74 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.835 -0.62 . . . . 1.41 112.092 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.52 -47.07 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.788 0.328 . . . . 2.64 111.582 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 9.0 mttp -91.54 130.54 37.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.311 -0.404 . . . . 1.81 111.399 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.4 t -138.87 125.3 24.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.95 -0.759 . . . . 1.53 108.95 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.5 117.38 20.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.042 -0.725 . . . . 0.38 109.042 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 26' ' ' GLU . 1.1 m -109.67 124.49 51.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.709 0.766 . . . . 1.03 112.037 -171.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 t -109.55 103.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.611 -1.177 . . . . 1.09 110.738 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -70.86 116.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.708 . . . . 1.3 109.405 175.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.45 -17.52 63.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.82 -1.082 . . . . 1.86 113.063 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 29.3 t -66.29 -15.1 62.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.771 0.319 . . . . 1.37 110.84 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 p -102.87 4.6 37.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.579 -0.282 . . . . 1.05 110.843 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.4 mm -100.59 130.59 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.03 0.443 . . . . 1.07 110.879 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -91.35 -47.18 7.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.7 110.916 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.563 ' HB3' HG13 ' A' ' 63' ' ' ILE . 40.3 tptt -133.62 169.97 16.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.16 110.138 -175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -146.0 137.52 24.87 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.224 -0.898 . . . . 1.98 108.86 176.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -144.15 138.11 27.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.033 0.444 . . . . 2.28 111.522 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.572 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -112.01 166.54 11.14 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.598 -0.728 . . . . 1.17 109.308 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 1.15 111.108 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.072 0.463 . . . . 2.71 111.679 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.676 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.4 mpp? -77.12 116.1 17.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 1.6 111.191 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 tpp -153.32 137.06 16.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.96 -0.563 . . . . 1.26 111.899 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -119.94 147.79 44.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.474 -0.565 . . . . 1.23 109.474 170.034 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -116.94 141.89 47.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.879 -0.601 . . . . 2.99 111.584 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -108.66 103.69 12.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.731 -1.122 . . . . 1.45 108.707 171.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.0 mm -87.84 99.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.284 -0.635 . . . . 1.24 109.284 -176.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.52 148.91 46.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.534 -0.841 . . . . 0.37 112.744 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mttt . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 121.668 0.747 . . . . 1.67 112.09 -177.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 109.614 -0.513 . . . . 2.53 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -106.32 147.93 28.61 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.572 0.701 . . . . 2.89 112.012 -173.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 66.6 m-70 -102.83 153.86 19.76 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.566 -1.272 . . . . 0.71 107.566 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.3 ttm -135.88 128.83 31.32 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.12 -0.632 . . . . 1.33 110.977 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.87 137.74 53.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 1.18 110.307 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.4 t -106.99 134.38 50.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.715 0.293 . . . . 1.5 111.142 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.79 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 68.3 m-85 -113.29 179.8 3.86 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.321 -0.622 . . . . 0.4 109.321 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.52 20.07 7.98 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.523 . . . . 1.58 110.407 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 23.9 t-20 -147.24 129.9 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 1.62 110.379 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.555 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 18.6 mmm180 -68.26 -36.96 80.24 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 4.27 111.165 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.523 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 44.7 m -64.85 -46.89 79.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 1.1 110.809 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.72 -51.53 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 115.996 -0.547 . . . . 1.07 110.382 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.4 mtp -46.46 -64.28 0.8 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.37 0.419 . . . . 1.36 111.837 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.7 t70 -53.43 -38.89 63.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.513 0.508 . . . . 0.67 111.735 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.33 -61.11 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.092 0.245 . . . . 1.55 110.849 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.9 mm -54.33 -48.02 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 1.07 109.809 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.0 ttpp -47.65 -55.65 8.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.697 -0.683 . . . . 1.55 110.666 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.59 -51.46 62.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.883 -0.599 . . . . 1.92 111.324 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 107' ' ' ILE . 28.3 m -46.37 -54.46 9.0 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.893 0.745 . . . . 1.07 110.98 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -68.9 -51.14 43.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.057 -0.974 . . . . 1.69 109.667 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -50.77 -46.96 59.71 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.123 -0.944 . . . . 2.1 111.787 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 54.6 mt-30 -67.95 -43.86 78.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.127 -0.488 . . . . 2.91 111.291 -177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 103' ' ' THR . 59.1 mt -64.47 -38.89 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.826 0.346 . . . . 1.16 110.279 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.0 mt -57.44 -45.32 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 1.14 110.109 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -63.72 -32.9 74.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.496 -0.775 . . . . 1.9 110.743 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 96.6 mtt180 -63.1 -34.46 77.64 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.66 -0.246 . . . . 3.42 110.847 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.302 0.572 . . . . 3.1 110.501 179.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--O 1.223 -0.318 0 N-CA-C 111.479 0.178 . . . . 1.21 111.479 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.569 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 13.0 p -153.89 159.28 41.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.557 0.694 . . . . 0.91 112.341 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.25 152.51 9.38 Favored Glycine 0 CA--C 1.498 -1.024 0 CA-C-N 114.39 -1.277 . . . . 0.17 110.419 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.56 117.75 9.19 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.532 0.682 . . . . 1.07 111.7 -173.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.15 172.26 9.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.861 -1.063 . . . . 1.05 109.466 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.61 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -131.43 134.38 60.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 116.315 -0.402 . . . . 1.08 109.918 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.612 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 46.0 t80 -147.92 130.52 15.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.22 -0.659 . . . . 0.45 109.22 -175.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.612 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 49.9 mt-10 63.23 37.65 11.04 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.601 0.715 . . . . 1.33 110.917 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.17 4.4 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.663 -1.153 . . . . 2.85 113.443 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 13' ' ' SER . 1.9 p -108.33 148.78 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.679 -0.86 . . . . 1.04 108.679 171.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.61 ' HA ' HG13 ' A' ' 8' ' ' ILE . 8.2 m -97.06 154.81 17.1 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.228 -0.442 . . . . 1.8 111.547 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' C ' HD11 ' A' ' 15' ' ' ILE . . . -172.98 -149.81 7.03 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.22 111.849 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.63 145.73 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.459 . . . . 1.05 109.762 174.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -99.9 132.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 107.073 -1.454 . . . . 1.06 107.073 171.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.36 110.8 6.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.931 0.395 . . . . 1.0 111.918 -170.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.686 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.6 mp -92.63 123.98 44.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.145 0.498 . . . . 1.03 110.069 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -115.02 128.09 56.06 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.423 -0.808 . . . . 1.36 111.463 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 22.5 mt-10 -120.62 71.99 0.94 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.076 -1.083 . . . . 1.47 108.076 166.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.08 -24.77 10.13 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 123.188 1.471 . . . . 3.67 108.1 165.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 23' ' ' SER . 27.1 m -107.12 -170.43 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 CA-C-N 111.756 -2.475 . . . . 1.47 111.245 -162.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG22 ' A' ' 22' ' ' VAL . 14.5 m -73.04 169.34 18.12 Favored Pre-proline 0 C--N 1.313 -0.983 0 N-CA-C 105.616 -1.994 . . . . 1.72 105.616 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.53 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -34.19 125.49 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.659 2.239 . . . . 0.69 113.745 -146.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -36.78 130.1 0.78 Allowed 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.445 -1.707 . . . . 1.1 112.769 -166.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 4.7 mt-10 -116.48 150.02 38.57 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.24 -0.584 . . . . 0.69 109.824 -176.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -102.35 128.72 48.8 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.656 -0.868 . . . . 1.22 108.656 179.345 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.5 m -122.19 107.88 12.66 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 116.119 -0.491 . . . . 1.06 111.088 -170.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 86.3 t90 -90.42 119.98 31.15 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.089 -0.708 . . . . 0.22 109.089 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -121.46 124.84 45.43 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.75 -0.659 . . . . 2.49 110.25 177.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 95.2 p -58.3 150.4 22.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.247 -0.888 . . . . 0.97 109.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -49.75 -37.36 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.963 0.357 . . . . 1.28 111.963 -173.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -29.19 69.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.22 -0.446 . . . . 2.57 111.661 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.12 3.28 57.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.094 -0.574 . . . . 1.41 111.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.27 -62.62 1.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.12 0.486 . . . . 2.64 110.692 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 4.3 mttp -79.43 120.63 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.81 111.326 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.8 t -131.01 120.41 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.922 -0.769 . . . . 1.53 108.922 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' THR . 22.4 m-70 -121.16 122.55 40.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.388 -0.597 . . . . 0.38 109.388 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.3 129.04 56.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.24 0.543 . . . . 1.03 111.59 -172.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.49 101.61 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.202 -0.908 . . . . 1.09 110.353 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.74 115.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.596 0.712 . . . . 1.3 109.384 176.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 mt -64.4 -15.71 61.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.903 -1.044 . . . . 1.86 112.971 -169.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.53 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 21.6 t -68.23 -17.44 64.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.672 0.272 . . . . 1.37 110.567 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -95.8 1.47 53.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 1.05 110.934 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 14.7 mm -102.21 140.59 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 120.963 0.411 . . . . 1.07 111.043 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 22.9 t70 -104.19 -44.42 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.61 . . . . 0.7 111.239 -177.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HB3' HG13 ' A' ' 63' ' ' ILE . 46.8 tptt -133.07 167.02 21.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.202 0.525 . . . . 2.16 110.106 -175.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.497 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.98 130.98 23.13 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.544 -0.753 . . . . 1.98 109.694 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 16.1 mm-40 -124.95 155.38 39.69 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.611 -0.722 . . . . 2.28 110.265 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' MET . . . -149.02 163.75 36.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.244 -0.435 . . . . 1.17 110.155 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 120.845 0.355 . . . . 1.15 111.645 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.224 0.535 . . . . 2.71 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -116.66 119.16 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.844 -0.616 . . . . 1.6 110.685 -172.59 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 50' ' ' ALA . 13.1 tpp -138.35 132.93 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.62 -0.263 . . . . 1.26 110.624 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -114.62 146.2 41.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.811 -0.44 . . . . 1.23 109.811 175.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.8 mtm180 -124.82 137.19 54.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.601 0.715 . . . . 2.99 111.586 171.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -102.96 102.79 12.86 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.086 -1.415 . . . . 1.45 108.709 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.542 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.1 mm -87.61 100.54 10.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 109.717 -0.475 . . . . 1.24 109.717 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -66.97 151.39 52.45 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.545 -0.836 . . . . 0.37 112.802 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 66.2 mttt . . . . . 0 CA--C 1.504 -0.817 0 CA-C-O 122.32 1.057 . . . . 1.67 112.103 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 109.053 -0.721 . . . . 2.53 109.053 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.7 ptt180 -111.56 159.7 17.89 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.261 0.553 . . . . 2.89 111.86 -172.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 48.3 m-70 -116.53 146.59 42.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.3 -1.0 . . . . 0.71 108.3 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.5 ttm -127.94 129.89 47.55 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.051 -0.66 . . . . 1.33 111.257 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -125.47 136.96 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.052 0.453 . . . . 1.18 110.124 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.485 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 19.3 m -97.5 151.69 19.76 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.445 -0.798 . . . . 1.5 109.498 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.711 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.9 m-85 -128.45 178.53 6.22 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.042 -0.725 . . . . 0.4 109.042 168.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -134.35 30.72 3.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.78 -0.646 . . . . 1.58 110.155 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.424 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.6 t-20 -149.17 121.46 8.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.593 -0.892 . . . . 1.62 108.593 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.6 ttp180 -72.71 -26.71 61.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 4.27 111.177 -171.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 21.7 m -67.5 -47.01 71.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.315 -0.402 . . . . 1.1 110.388 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.9 t -49.98 -58.3 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 115.838 -0.619 . . . . 1.07 111.623 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.631 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 ptm -53.88 -48.08 70.42 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 120.803 -0.359 . . . . 1.36 111.805 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.631 ' N ' ' HG3' ' A' ' 97' ' ' MET . 18.2 t70 -60.8 -43.35 98.24 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 123.744 0.653 . . . . 0.67 111.672 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -63.89 -51.32 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.457 -0.338 . . . . 1.55 110.753 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.795 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.4 mm -58.1 -46.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.769 -0.65 . . . . 1.07 109.593 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 25.3 mtpt -42.51 -64.97 0.52 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.419 0.628 . . . . 1.55 111.707 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.2 ttp -57.91 -48.3 80.27 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.551 -1.204 . . . . 1.92 111.909 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 m -55.41 -48.05 74.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.923 -0.58 . . . . 1.07 111.486 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -71.56 -49.46 40.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.329 0.585 . . . . 1.69 109.524 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.25 -51.41 54.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.53 -1.214 . . . . 2.1 111.782 -177.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -67.23 -43.16 82.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.875 0.324 . . . . 2.91 111.875 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 103' ' ' THR . 64.7 mt -62.26 -41.07 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.007 -0.368 . . . . 1.16 110.007 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.95 -51.86 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 1.14 110.562 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -64.42 -23.35 67.25 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.706 -0.679 . . . . 1.9 111.451 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.525 ' NH2' ' HH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -76.8 -31.04 56.7 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 120.992 0.425 . . . . 3.42 110.115 179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.525 ' HH ' ' NH2' ' A' ' 110' ' ' ARG . 25.5 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 3.1 109.954 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.2 m80 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.626 0.25 . . . . 1.21 111.384 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 15.9 p -147.41 167.12 25.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.387 0.613 . . . . 0.91 111.313 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.2 149.53 6.57 Favored Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 114.562 -1.199 . . . . 0.17 110.266 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.8 120.28 13.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.416 0.627 . . . . 1.07 111.119 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.773 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -127.3 172.78 10.31 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.157 -0.929 . . . . 1.05 109.693 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.618 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.06 133.68 62.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 109.95 -0.389 . . . . 1.08 109.95 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 49.4 t80 -149.9 136.89 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.899 -0.778 . . . . 0.45 108.899 -175.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.615 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 44.6 mt-10 62.21 34.3 16.17 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.319 0.581 . . . . 1.33 111.184 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.2 11.87 5.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.663 -1.153 . . . . 2.85 112.554 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG11 ' O ' ' A' ' 9' ' ' PHE . 1.8 p -116.81 149.0 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.778 -0.823 . . . . 1.04 108.778 172.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.618 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.9 m -91.57 154.1 19.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.155 0.502 . . . . 1.8 111.717 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -169.71 -154.51 9.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.501 -0.772 . . . . 0.22 111.898 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -121.97 145.75 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.454 -0.572 . . . . 1.05 109.454 172.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.44 132.65 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 107.256 -1.387 . . . . 1.06 107.256 170.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.3 106.64 5.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -170.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' A' ' 27' ' ' LEU . 2.5 mp -86.44 119.21 34.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.651 -0.499 . . . . 1.03 109.651 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -108.09 124.27 49.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.624 -0.716 . . . . 1.36 111.27 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.24 71.66 0.87 Allowed 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.861 -1.163 . . . . 1.47 107.861 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -112.91 -24.1 9.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 122.866 1.317 . . . . 3.67 108.419 165.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.24 -170.42 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 112.394 -2.185 . . . . 1.47 111.65 -162.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.446 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 61.6 m -74.33 170.91 12.78 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 105.939 -1.874 . . . . 1.72 105.939 172.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 52.3 Cg_exo -33.69 125.81 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.524 2.15 . . . . 0.69 113.691 -143.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -39.67 131.78 1.73 Allowed 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 113.865 -1.516 . . . . 1.1 112.216 -167.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.89 147.48 42.16 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.327 -176.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -102.32 128.69 48.78 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.606 -0.887 . . . . 1.22 108.606 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.1 m -120.38 107.35 12.81 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.279 -0.419 . . . . 1.06 110.88 -173.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.532 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 84.0 t90 -89.17 122.55 32.57 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.179 -1.045 . . . . 0.22 108.179 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.498 ' HB3' HG21 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -133.23 127.72 34.33 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.51 0.671 . . . . 2.49 111.09 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.5 p -60.42 142.74 54.62 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.113 -1.403 . . . . 0.97 109.81 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.44 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 13.5 p -56.34 -23.21 35.83 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.756 0.66 . . . . 1.28 111.954 -173.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.42 -27.34 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 2.57 111.116 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.63 -1.02 56.8 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.166 -0.54 . . . . 1.41 112.393 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.93 -62.91 1.43 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.742 0.306 . . . . 2.64 111.694 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 8.9 mttp -75.99 129.72 37.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.81 111.409 -178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -141.37 124.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.94 -0.763 . . . . 1.53 108.94 176.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.1 m-70 -128.35 122.64 31.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.8 -0.444 . . . . 0.38 109.8 -177.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.41 120.1 40.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.374 0.606 . . . . 1.03 112.152 -170.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -108.83 102.12 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.105 -0.952 . . . . 1.09 110.491 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.19 117.15 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.323 0.583 . . . . 1.3 109.461 175.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 2.7 mm? -51.25 -27.59 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.009 -0.996 . . . . 1.86 113.636 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 13.9 t -61.38 -16.59 47.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 1.37 111.494 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -102.19 3.48 38.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 1.05 110.639 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.463 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 22.4 mm -98.91 140.24 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 1.07 110.647 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -99.23 -44.23 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.943 -0.571 . . . . 0.7 110.478 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 47.8 tptt -144.56 175.14 10.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 2.16 109.774 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.564 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.4 pt? -140.86 153.66 45.83 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.582 -0.895 . . . . 1.98 108.582 168.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.57 140.04 40.77 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.908 -0.404 . . . . 2.28 109.908 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.17 150.93 49.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.211 -0.449 . . . . 1.17 110.631 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.853 -0.612 . . . . 1.15 112.119 -176.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.473 0.654 . . . . 2.71 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.574 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 23.5 mtm -107.74 115.09 29.52 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.831 -1.077 . . . . 1.6 111.217 -167.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.493 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.9 tpp -143.06 139.83 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 1.26 111.778 -172.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.01 145.74 47.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.704 -0.48 . . . . 1.23 109.704 168.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -112.89 151.35 30.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.827 -0.624 . . . . 2.99 110.564 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -114.42 105.68 13.41 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.732 -1.21 . . . . 1.45 107.732 174.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG13 ' HB3' ' A' ' 47' ' ' LYS . 1.4 mm -88.31 97.79 7.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.444 -0.947 . . . . 1.24 108.444 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -76.73 151.17 39.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.427 -0.892 . . . . 0.37 112.643 -173.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.7 mttt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.814 0.816 . . . . 1.67 112.017 -177.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.113 0.483 . . . . 2.53 109.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HE ' ' CD1' ' A' ' 63' ' ' ILE . 17.4 mtt180 -102.85 142.85 33.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.726 0.774 . . . . 2.89 112.941 -173.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 29.4 m-70 -116.7 140.25 49.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.293 -1.373 . . . . 0.71 107.293 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.0 ttm -128.07 131.25 49.1 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.147 -0.621 . . . . 1.33 110.78 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE1' HD21 ' A' ' 62' ' ' LEU . 16.6 m-85 -128.99 137.42 51.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 1.18 110.499 -177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.575 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 36.8 m -100.07 131.74 45.85 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.842 -0.617 . . . . 1.5 111.337 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.773 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 88.1 m-85 -113.38 176.98 4.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.132 0.492 . . . . 0.4 110.63 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -137.43 14.89 2.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.263 -0.88 . . . . 1.58 111.336 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.22 142.15 39.96 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.113 0.482 . . . . 1.62 110.389 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.574 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 28.7 mmt-85 -70.7 -42.82 70.16 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.339 -0.846 . . . . 4.27 111.372 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 m -64.97 -47.22 78.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.311 -0.404 . . . . 1.1 110.951 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.5 t -46.35 -51.39 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.576 0.548 . . . . 1.07 111.266 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 3.9 mtp -44.52 -60.09 2.13 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 112.303 0.483 . . . . 1.36 112.303 174.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.44 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 18.6 t70 -69.87 -34.03 73.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.297 -173.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -69.35 -52.48 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.078 -0.342 . . . . 1.55 110.078 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -59.32 -40.51 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 1.07 109.841 175.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 2.4 mtmt -50.66 -64.89 0.67 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.631 -0.713 . . . . 1.55 110.536 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.2 ttm -55.47 -50.3 70.23 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.617 -1.174 . . . . 1.92 111.744 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -49.23 -57.82 6.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 1.07 111.218 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.19 -55.91 26.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 1.69 111.116 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 16.4 tm0? -44.05 -54.53 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.846 -1.07 . . . . 2.1 112.621 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 91.7 mt-30 -63.9 -44.83 91.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.741 -0.209 . . . . 2.91 110.993 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 75.9 mt -62.75 -44.64 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.16 110.59 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.446 HD12 HD22 ' A' ' 48' ' ' LEU . 89.0 mt -54.75 -44.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.188 0.518 . . . . 1.14 110.461 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -69.76 -30.62 68.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.9 110.888 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.4 mtt180 -62.13 -33.2 74.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.207 0.527 . . . . 3.42 110.65 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CE2' HG22 ' A' ' 107' ' ' ILE . 25.1 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 3.1 110.25 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.343 0.497 . . . . 1.21 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.8 p -166.95 165.31 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.91 111.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.08 148.91 6.1 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 114.723 -1.126 . . . . 0.17 110.44 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.593 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.44 116.3 8.03 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.291 0.567 . . . . 1.07 111.614 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.849 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -125.93 164.01 21.71 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.264 -0.88 . . . . 1.05 109.778 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.632 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -124.13 139.33 50.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.633 -0.506 . . . . 1.08 109.633 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -143.53 117.81 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.67 0.271 . . . . 0.45 110.826 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 49.47 64.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.488 -0.778 . . . . 1.33 112.851 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.63 3.43 4.67 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.388 -1.278 . . . . 2.85 113.897 170.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 13' ' ' SER . 2.8 p -126.64 146.16 32.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.044 0.449 . . . . 1.04 110.019 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.632 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.5 m -96.74 158.92 15.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.655 -0.702 . . . . 1.8 111.246 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -177.18 -149.16 7.61 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.026 -0.607 . . . . 0.22 112.689 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.593 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.91 147.37 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 123.498 0.719 . . . . 1.05 109.124 174.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.73 131.67 47.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.157 -1.423 . . . . 1.06 107.157 169.261 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.45 121.96 16.2 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.731 0.301 . . . . 1.0 111.164 -172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.585 ' CD1' HD13 ' A' ' 104' ' ' LEU . 2.5 mp -98.65 125.74 51.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.048 0.928 . . . . 1.03 112.605 -173.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.64 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 14.4 m-20 -82.68 151.6 26.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.366 -1.743 . . . . 1.36 110.256 174.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.665 ' C ' ' H ' ' A' ' 22' ' ' VAL . 27.6 mt-10 -121.24 -135.23 0.31 Allowed 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 126.402 1.881 . . . . 1.47 108.111 -169.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -47.45 24.14 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 128.781 2.832 . . . . 3.67 115.889 -169.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.665 ' H ' ' C ' ' A' ' 20' ' ' GLU . 29.6 m -96.33 -167.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 N-CA-C 106.32 -1.733 . . . . 1.47 106.32 172.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -69.53 144.86 94.72 Favored Pre-proline 0 C--N 1.312 -1.057 0 N-CA-C 105.225 -2.139 . . . . 1.72 105.225 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.434 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 80.8 Cg_exo -34.04 126.76 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.182 2.588 . . . . 0.69 114.167 -143.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 19' ' ' ASN . . . -29.27 121.34 0.14 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.192 -1.822 . . . . 1.1 112.339 -166.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -114.58 138.03 51.15 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.067 -0.515 . . . . 0.69 110.322 -170.161 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.35 125.57 48.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.618 0.723 . . . . 1.22 109.265 -178.323 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 5.9 m -114.79 107.53 15.56 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.372 -0.831 . . . . 1.06 110.637 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 69.8 t90 -87.93 123.96 33.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.214 -1.402 . . . . 0.22 107.214 167.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' HG22 ' A' ' 37' ' ' VAL . 10.5 ptt180 -133.25 138.27 46.4 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 121.454 0.645 . . . . 2.49 110.167 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 97.0 p -68.58 156.92 37.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.633 -1.167 . . . . 0.97 110.781 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 p -58.58 -23.23 58.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.375 -0.83 . . . . 1.28 113.062 -170.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.08 -20.14 35.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.036 0.446 . . . . 2.57 111.003 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.66 7.02 69.45 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.768 -0.651 . . . . 1.41 111.507 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.72 -64.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 2.64 110.895 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 tttt -78.57 130.22 35.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 116.012 -0.54 . . . . 1.81 110.199 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 ' CB ' ' A' ' 30' ' ' ARG . 4.0 t -147.13 129.15 6.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.445 -0.798 . . . . 1.53 109.622 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.58 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m-70 -131.24 129.18 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.437 -0.579 . . . . 0.38 109.437 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.438 HG22 ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.78 117.17 29.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.61 . . . . 1.03 111.559 -172.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 45' ' ' ILE . 57.2 t -103.39 101.11 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 1.09 111.051 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -69.13 115.75 8.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.041 -0.725 . . . . 1.3 109.041 174.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.05 -14.64 60.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.349 0.87 . . . . 1.86 113.349 -168.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 17.2 t -66.52 -14.79 62.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 1.37 110.712 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -100.04 5.78 45.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 1.05 111.056 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 25.8 mm -101.84 147.56 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 116.174 -0.466 . . . . 1.07 111.457 -178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -114.97 -40.58 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.7 111.876 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.559 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.5 tmtt? -135.26 174.48 10.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.298 0.571 . . . . 2.16 110.338 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.18 140.41 29.31 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.631 -0.878 . . . . 1.98 108.631 174.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 99.2 mt-30 -128.26 142.75 51.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.42 -0.355 . . . . 2.28 110.354 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -144.32 145.59 32.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.814 -0.63 . . . . 1.17 109.518 -176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.11 0.481 . . . . 1.15 111.941 -175.24 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 121.369 0.604 . . . . 2.71 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.683 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.1 mpt? -102.03 113.43 26.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.403 -0.817 . . . . 1.6 110.833 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -143.85 139.06 29.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 1.26 110.971 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -123.72 152.2 42.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.809 -0.632 . . . . 1.23 109.539 171.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.558 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 86.2 mtt180 -128.48 145.94 50.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.206 0.527 . . . . 2.99 111.323 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -108.05 106.18 16.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.01 -0.996 . . . . 1.45 108.835 171.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 ' HB3' ' A' ' 47' ' ' LYS . 11.0 mm -88.88 100.22 10.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.87 -0.332 . . . . 1.24 110.211 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.74 152.64 50.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.769 -0.729 . . . . 0.37 112.457 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mttt . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 121.726 0.774 . . . . 1.67 112.259 -178.525 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 108.638 -0.875 . . . . 2.53 108.638 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -124.55 155.1 39.59 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.281 0.563 . . . . 2.89 111.891 -172.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.538 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 83.6 m-70 -109.85 141.98 41.79 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.445 -0.946 . . . . 0.71 108.445 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.0 ttm -126.55 124.78 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.585 0.629 . . . . 1.33 111.676 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 62' ' ' LEU . 2.2 m-85 -115.56 142.24 46.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.736 -0.666 . . . . 1.18 111.397 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.482 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 49.3 m -111.51 121.98 46.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.751 -0.659 . . . . 1.5 111.17 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.849 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 74.4 m-85 -111.95 178.45 4.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.975 -0.75 . . . . 0.4 108.975 173.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.683 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.0 p30 -136.0 28.01 3.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.301 0.572 . . . . 1.58 110.249 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 21.3 t-20 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.82 -0.808 . . . . 1.62 108.82 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.6 -27.48 55.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 4.27 110.47 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.5 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 80.9 m -66.38 -49.71 65.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 1.1 110.181 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.8 t -49.63 -51.56 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 115.746 -0.661 . . . . 1.07 110.31 170.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.655 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 7.1 mtp -44.6 -64.62 0.66 Allowed 'General case' 0 C--O 1.218 -0.555 0 O-C-N 123.648 0.592 . . . . 1.36 112.192 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.13 -36.14 72.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.673 0.273 . . . . 0.67 111.44 -173.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -70.6 -54.95 10.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 1.55 110.849 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.774 ' O ' HD11 ' A' ' 104' ' ' LEU . 47.1 mm -57.27 -46.22 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.07 109.81 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 45.0 mtpt -46.31 -64.39 0.77 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.329 0.585 . . . . 1.55 110.67 175.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtm -59.15 -47.98 83.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.644 -1.162 . . . . 1.92 112.067 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 107' ' ' ILE . 99.8 m -51.02 -51.56 51.87 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.343 0.592 . . . . 1.07 111.096 -177.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.774 HD11 ' O ' ' A' ' 100' ' ' ILE . 2.9 mp -72.73 -50.68 23.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.218 -0.901 . . . . 1.69 109.095 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.0 tm0? -50.63 -51.94 44.19 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.549 -1.205 . . . . 2.1 111.805 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 19.9 mm-40 -66.29 -42.77 87.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.289 -0.414 . . . . 2.91 112.082 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 25' ' ' ALA . 66.2 mt -65.15 -41.36 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.321 -0.552 . . . . 1.16 110.1 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mt -53.0 -51.02 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 1.14 110.204 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -66.77 -25.32 66.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.315 -0.857 . . . . 1.9 111.795 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.1 mtt180 -67.02 -31.29 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 3.42 110.247 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.396 0.617 . . . . 3.1 110.0 178.007 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m80 . . . . . 0 C--O 1.223 -0.297 0 CA-C-O 120.605 0.24 . . . . 1.21 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 20.4 p -142.6 166.7 23.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.413 0.625 . . . . 0.91 112.384 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.28 148.53 6.4 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.595 -1.184 . . . . 0.17 110.535 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.67 119.3 11.54 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.377 0.608 . . . . 1.07 112.048 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.825 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -128.31 174.27 9.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.959 -1.019 . . . . 1.05 109.96 -177.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.49 137.26 55.74 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 116.392 -0.367 . . . . 1.08 110.086 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.4 t80 -148.42 129.16 14.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.088 -0.708 . . . . 0.45 109.088 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.5 mt-10 66.32 36.53 5.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.209 0.528 . . . . 1.33 111.01 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt 65.88 -2.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.903 -1.044 . . . . 2.85 113.094 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 13' ' ' SER . 1.9 p -101.35 148.46 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.84 -0.8 . . . . 1.04 108.84 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.62 ' HA ' HG13 ' A' ' 8' ' ' ILE . 6.9 m -100.52 153.78 19.09 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.793 -0.64 . . . . 1.8 111.71 -173.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.01 -148.78 6.67 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.909 -0.587 . . . . 0.22 112.376 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.7 146.2 27.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.849 -0.426 . . . . 1.05 109.849 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.25 133.38 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 107.267 -1.383 . . . . 1.06 107.267 171.073 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.32 106.54 5.24 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 18' ' ' ILE . 2.9 mp -86.57 122.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.799 -0.445 . . . . 1.03 109.799 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -112.54 120.79 42.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.833 -0.622 . . . . 1.36 111.288 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 29.4 mt-10 -117.29 72.6 0.84 Allowed 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 107.758 -1.201 . . . . 1.47 107.758 167.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.09 -24.27 9.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 122.956 1.36 . . . . 3.67 108.367 165.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.71 -168.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 112.039 -2.346 . . . . 1.47 111.953 -161.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 12.2 p -73.31 169.91 16.13 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 105.9 -1.889 . . . . 1.72 105.9 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 53.0 Cg_exo -34.44 126.01 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.583 2.189 . . . . 0.69 113.621 -145.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.4 131.42 1.21 Allowed 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 113.641 -1.618 . . . . 1.1 112.448 -167.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -117.1 145.61 43.66 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.436 -0.505 . . . . 0.69 110.002 -176.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.31 129.71 48.82 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.488 -0.93 . . . . 1.22 108.488 179.31 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.4 m -121.91 108.29 13.26 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 116.118 -0.492 . . . . 1.06 110.786 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 82.3 t90 -87.06 126.31 34.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.952 -1.129 . . . . 0.22 107.952 171.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -137.48 127.62 26.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.569 0.699 . . . . 2.49 111.528 179.375 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.48 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.2 p -57.94 151.58 17.98 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.958 -1.474 . . . . 0.97 110.687 -175.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -57.18 -27.07 61.61 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.563 -0.744 . . . . 1.28 112.391 -173.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.19 -29.15 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 2.57 110.83 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.82 5.12 58.73 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.025 -0.607 . . . . 1.41 112.23 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -82.93 -58.15 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.107 0.48 . . . . 2.64 111.561 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.651 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 9.4 tttt -88.29 119.57 28.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.599 . . . . 1.81 110.736 -175.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 30' ' ' ARG . 24.4 m -128.41 145.41 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.004 -0.739 . . . . 1.53 109.004 174.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.651 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 18.3 m-70 -140.13 125.33 18.74 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.616 -0.883 . . . . 0.38 108.616 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 124.38 51.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.466 0.65 . . . . 1.03 112.403 -169.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 45' ' ' ILE . 29.6 t -113.09 102.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.83 -1.077 . . . . 1.09 110.396 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.5 118.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.479 -0.563 . . . . 1.3 109.479 175.396 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 1.9 mm? -53.02 -28.19 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.969 1.1 . . . . 1.86 113.969 -172.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -65.9 -11.38 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 1.37 111.032 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -98.7 4.8 47.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 1.05 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 18.6 mm -100.26 137.25 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 121.406 0.622 . . . . 1.07 111.916 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 29.5 t70 -99.28 -46.14 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.157 -0.928 . . . . 0.7 110.767 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.468 ' HB3' HG13 ' A' ' 63' ' ' ILE . 48.2 tptt -137.28 171.18 14.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.155 0.502 . . . . 2.16 110.677 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -142.54 130.68 22.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.009 -0.737 . . . . 1.98 109.009 175.787 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.6 mm-40 -125.79 144.52 50.6 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.983 -0.553 . . . . 2.28 110.751 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -138.9 142.22 38.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 1.17 110.446 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.991 0.424 . . . . 1.15 111.779 -178.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 121.707 0.765 . . . . 2.71 110.77 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.7 ' HB2' ' SD ' ' A' ' 97' ' ' MET . 1.8 ptp -84.91 119.33 25.23 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.597 -1.183 . . . . 1.6 110.55 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.472 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 6.8 tpp -133.59 148.44 51.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.022 -0.99 . . . . 1.26 110.927 -167.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 HD12 ' CG ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -123.09 146.14 47.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.022 0.439 . . . . 1.23 110.241 170.347 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 93.7 mtt180 -119.55 143.73 47.45 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.702 -0.681 . . . . 2.99 111.09 172.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -109.55 103.06 11.87 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.69 -1.141 . . . . 1.45 107.998 174.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.3 mm -87.99 100.27 10.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.447 -0.575 . . . . 1.24 109.447 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -78.2 143.26 27.15 Favored Glycine 0 C--N 1.321 -0.265 0 C-N-CA 120.56 -0.828 . . . . 0.37 113.326 -173.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 15.8 mtpt . . . . . 0 CA--C 1.507 -0.688 0 CA-C-O 121.199 0.523 . . . . 1.67 109.856 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 107.363 -1.347 . . . . 2.53 107.363 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -120.02 161.65 20.57 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.072 0.767 . . . . 2.89 113.072 -169.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 26.8 m-70 -111.12 155.85 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.236 -1.024 . . . . 0.71 108.236 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttm -139.45 127.23 22.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.721 -0.392 . . . . 1.33 110.784 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.88 145.99 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 1.18 110.561 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.516 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.8 m -111.02 129.09 56.01 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.88 -0.6 . . . . 1.5 111.702 -174.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 77.1 m-85 -113.89 177.46 4.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.284 0.564 . . . . 0.4 110.386 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -134.62 22.61 3.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.236 -0.893 . . . . 1.58 110.348 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.64 127.92 15.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.939 -0.573 . . . . 1.62 110.064 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -62.67 -46.15 89.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.288 -0.869 . . . . 4.27 111.186 -175.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.2 m -57.05 -49.64 75.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 1.1 110.59 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -50.06 -58.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 1.07 111.661 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.7 ' SD ' ' HB2' ' A' ' 58' ' ' MET . 4.1 ptm -59.5 -42.44 92.17 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.48 0.657 . . . . 1.36 111.668 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.655 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -65.89 -42.7 89.94 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.208 -0.905 . . . . 0.67 111.777 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.78 -48.56 58.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.724 -0.473 . . . . 1.55 109.724 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 mm -56.91 -37.42 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 1.07 110.164 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 4.0 mtmm -52.46 -65.08 0.62 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.394 0.616 . . . . 1.55 110.155 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.463 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 38.2 ttp -56.38 -45.68 80.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.307 -1.315 . . . . 1.92 111.9 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 107' ' ' ILE . 52.3 m -52.98 -52.38 58.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 1.07 111.219 178.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.3 -51.92 26.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.467 0.651 . . . . 1.69 111.221 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -51.49 -46.61 63.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.272 -1.331 . . . . 2.1 111.742 -176.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.463 ' NE2' ' HG2' ' A' ' 102' ' ' MET . 49.0 mt-30 -62.13 -50.58 71.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.313 0.101 . . . . 2.91 111.075 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.557 HG23 ' CE2' ' A' ' 111' ' ' TYR . 59.1 mt -57.62 -42.48 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.102 -0.333 . . . . 1.16 110.102 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 67.6 mt -54.11 -55.94 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 1.14 110.835 172.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.1 m -60.7 -30.15 69.77 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.312 -0.858 . . . . 1.9 111.43 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 92.2 mtt180 -69.81 -24.98 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 3.42 111.123 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CE2' HG23 ' A' ' 107' ' ' ILE . 24.7 m-85 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.155 0.503 . . . . 3.1 110.129 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HA ' HG22 ' A' ' 103' ' ' THR . 63.5 m80 . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 113.76 1.022 . . . . 1.21 113.76 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.8 p -148.11 163.46 36.87 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.568 0.699 . . . . 0.91 112.524 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.04 150.91 7.11 Favored Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 114.312 -1.313 . . . . 0.17 110.337 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.595 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.1 119.15 11.55 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.311 0.577 . . . . 1.07 111.673 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -127.51 172.88 10.31 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.176 -0.92 . . . . 1.05 110.107 -177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -130.33 138.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 110.293 -0.262 . . . . 1.08 110.293 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.643 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 46.2 t80 -150.55 132.96 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 0.45 109.032 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.643 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.3 mt-10 64.86 36.07 8.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.278 0.561 . . . . 1.33 111.058 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 62.82 8.3 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.835 -1.075 . . . . 2.85 113.158 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 13' ' ' SER . 1.7 p -111.87 148.44 15.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.505 -0.924 . . . . 1.04 108.505 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.604 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 m -95.21 157.08 16.05 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.311 0.577 . . . . 1.8 111.595 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -172.63 -150.88 7.59 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.521 -0.763 . . . . 0.22 111.788 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.4 145.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.651 -0.5 . . . . 1.05 109.651 173.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.51 128.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 107.075 -1.454 . . . . 1.06 107.075 170.006 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.38 110.03 6.68 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.951 0.405 . . . . 1.0 111.511 -171.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.567 ' CD1' HD12 ' A' ' 104' ' ' LEU . 3.4 mp -91.97 126.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.225 0.536 . . . . 1.03 110.522 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.33 127.15 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.29 -0.868 . . . . 1.36 110.842 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -122.08 72.16 1.03 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.509 -1.293 . . . . 1.47 107.509 166.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.73 -22.13 10.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.044 1.402 . . . . 3.67 108.338 167.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.0 -169.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 112.05 -2.341 . . . . 1.47 111.572 -161.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -72.55 170.19 14.11 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 105.348 -2.093 . . . . 1.72 105.348 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.415 ' HB2' HG23 ' A' ' 41' ' ' VAL . 72.3 Cg_exo -34.02 127.08 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.632 2.221 . . . . 0.69 113.736 -147.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB2' HG22 ' A' ' 107' ' ' ILE . . . -38.12 138.05 0.47 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 113.474 -1.694 . . . . 1.1 112.575 -167.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 2.8 mt-10 -122.71 148.48 45.26 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.251 0.548 . . . . 0.69 110.35 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -103.12 126.77 50.45 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.275 -0.875 . . . . 1.22 108.759 177.659 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -115.96 108.09 15.81 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.794 -0.362 . . . . 1.06 111.178 -172.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 84.4 t90 -88.0 120.93 29.83 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.463 -0.94 . . . . 0.22 108.463 170.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.4 ptt180 -132.83 124.03 27.22 Favored 'General case' 0 N--CA 1.427 -1.586 0 C-N-CA 119.2 -1.0 . . . . 2.49 111.614 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.439 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.2 p -57.45 147.89 25.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.233 -1.803 . . . . 0.97 109.995 -174.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 HG22 ' HA2' ' A' ' 14' ' ' GLY . 21.8 p -55.53 -25.14 35.86 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.886 0.742 . . . . 1.28 112.349 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.61 -25.24 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 2.57 111.093 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.78 4.81 61.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.872 -0.68 . . . . 1.41 112.303 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.33 -56.84 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.339 . . . . 2.64 111.378 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 11.1 mttp -86.98 136.52 32.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.433 -0.349 . . . . 1.81 111.404 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 30' ' ' ARG . 7.9 t -146.3 117.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.497 -0.927 . . . . 1.53 108.497 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -122.17 118.93 29.83 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.356 -0.609 . . . . 0.38 109.356 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -109.23 128.5 55.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.644 0.735 . . . . 1.03 111.889 -171.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 t -116.7 101.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.861 -1.063 . . . . 1.09 110.683 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.28 114.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.312 -0.625 . . . . 1.3 109.312 175.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.33 -23.28 5.58 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.88 1.437 . . . . 1.86 114.88 -172.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -69.18 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.308 0.504 . . . . 1.37 112.016 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.9 p -94.05 -2.22 53.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.505 0.669 . . . . 1.05 109.763 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.552 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 23.1 mm -100.18 146.16 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 CA-C-N 115.059 -0.973 . . . . 1.07 111.4 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -100.57 -45.97 5.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.21 -0.905 . . . . 0.7 110.397 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.8 tmtp? -144.98 174.49 10.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 2.16 110.392 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.64 155.23 43.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.819 -0.628 . . . . 1.98 109.69 167.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -148.07 168.45 22.35 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.576 -0.738 . . . . 2.28 110.071 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -144.8 166.97 23.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.164 -0.471 . . . . 1.17 110.06 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 59' ' ' MET . 1.1 p . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.599 0.237 . . . . 1.15 110.721 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.274 0.559 . . . . 2.71 110.372 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 35.1 mtm -124.64 112.97 17.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.678 -0.692 . . . . 1.6 111.166 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.451 ' HB3' HG22 ' A' ' 51' ' ' THR . 13.8 tpp -148.79 136.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.337 -0.847 . . . . 1.26 110.266 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.68 148.85 32.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.405 -0.591 . . . . 1.23 109.405 173.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -117.2 147.34 42.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.196 0.522 . . . . 2.99 110.697 174.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 2.3 mm? -113.69 104.02 11.81 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.757 -1.201 . . . . 1.45 107.757 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.554 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.7 mm -87.92 97.26 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 N-CA-C 108.386 -0.968 . . . . 1.24 108.386 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -75.76 163.8 53.66 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.813 -0.708 . . . . 0.37 111.737 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 N--CA 1.44 -0.942 0 CA-C-O 121.851 0.834 . . . . 1.67 110.825 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 . . . . . 0 C--O 1.22 -0.458 0 N-CA-C 109.648 -0.501 . . . . 2.53 109.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.7 mtm180 -104.31 139.51 39.19 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 113.415 0.894 . . . . 2.89 113.415 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 46.3 m-70 -116.41 145.85 42.95 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.106 -1.407 . . . . 0.71 107.343 171.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -131.34 129.31 41.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.248 -0.581 . . . . 1.33 110.919 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 40.5 m-85 -128.03 138.04 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 1.18 110.562 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.1 t -105.86 135.45 47.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.357 -0.238 . . . . 1.5 110.357 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 49.8 m-85 -112.92 177.26 4.69 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.417 -0.586 . . . . 0.4 109.417 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -133.49 33.72 3.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.644 -0.707 . . . . 1.58 110.027 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -156.82 134.11 10.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.533 -0.758 . . . . 1.62 110.195 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.481 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -70.84 -40.2 72.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.666 -0.697 . . . . 4.27 111.54 -173.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.1 m -65.04 -46.24 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.336 -0.393 . . . . 1.1 110.523 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 100' ' ' ILE . 45.3 t -48.42 -55.11 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 1.07 110.493 172.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.48 ' HG3' ' HG2' ' A' ' 58' ' ' MET . 47.2 mmm -43.9 -57.19 3.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 123.546 0.529 . . . . 1.36 112.171 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.562 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.2 t70 -67.51 -40.98 85.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.524 . . . . 0.67 111.764 -174.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -69.57 -45.81 67.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.261 -0.427 . . . . 1.55 110.288 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.784 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -61.17 -44.77 98.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.286 -0.635 . . . . 1.07 109.286 173.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.598 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 40.8 mtmt -48.68 -59.24 3.7 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.897 0.38 . . . . 1.55 110.439 173.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 mtm -58.48 -48.82 79.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 1.92 112.079 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 3' ' ' HIS . 94.2 m -55.12 -52.51 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 1.07 111.193 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.7 mp -67.43 -49.84 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.032 -0.729 . . . . 1.69 109.032 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -52.47 -49.69 64.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.177 -0.92 . . . . 2.1 112.362 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.0 mt-30 -61.46 -49.5 76.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.631 0.253 . . . . 2.91 111.094 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.512 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 82.9 mt -62.78 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.16 111.17 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 48' ' ' LEU . 72.4 mt -60.19 -45.26 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 1.14 110.31 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -58.43 -33.92 70.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 1.9 110.883 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.6 mtt180 -64.96 -36.89 85.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 3.42 111.163 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.776 0.798 . . . . 3.1 109.474 179.656 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m80 . . . . . 0 C--O 1.223 -0.315 0 N-CA-C 111.41 0.152 . . . . 1.21 111.41 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.9 p -159.63 165.32 32.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.395 0.617 . . . . 0.91 111.836 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.5 148.7 6.2 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 114.699 -1.137 . . . . 0.17 110.695 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.66 116.16 7.29 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.461 0.648 . . . . 1.07 111.445 -173.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.79 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.82 174.53 8.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.793 -1.094 . . . . 1.05 110.194 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -130.89 138.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 110.064 -0.347 . . . . 1.08 110.064 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.2 t80 -148.96 128.98 13.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.931 -0.766 . . . . 0.45 108.931 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 65.46 41.58 4.15 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.127 0.489 . . . . 1.33 110.994 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 66.73 -8.23 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.064 -0.971 . . . . 2.85 113.336 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -101.49 147.9 7.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.978 0.418 . . . . 1.04 109.879 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 8' ' ' ILE . 17.5 t -98.13 154.47 17.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.514 -0.766 . . . . 1.8 111.698 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.82 -145.85 5.49 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.748 -1.115 . . . . 0.22 111.621 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.2 145.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.807 -0.442 . . . . 1.05 109.807 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.21 131.35 47.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 107.093 -1.447 . . . . 1.06 107.093 169.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 121.71 15.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.572 0.225 . . . . 1.0 111.267 -171.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.64 ' CD1' HD12 ' A' ' 104' ' ' LEU . 2.7 mp -97.11 124.66 50.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.999 0.904 . . . . 1.03 111.92 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.499 ' ND2' HG22 ' A' ' 22' ' ' VAL . 65.9 t30 -94.56 146.03 24.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.751 -1.568 . . . . 1.36 109.658 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.745 ' O ' HG21 ' A' ' 22' ' ' VAL . 36.8 mt-10 -119.8 -146.58 0.38 Allowed 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 105.966 -1.864 . . . . 1.47 105.966 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -37.53 29.82 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 131.248 3.819 . . . . 3.67 118.397 -143.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.745 HG21 ' O ' ' A' ' 20' ' ' GLU . 33.6 m -94.99 -168.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 113.762 -1.563 . . . . 1.47 106.855 171.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.3 m -70.69 159.13 86.21 Favored Pre-proline 0 C--N 1.308 -1.206 0 N-CA-C 105.585 -2.006 . . . . 1.72 105.585 -177.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 69.6 Cg_exo -34.26 125.47 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.055 . . . . 0.69 113.928 -144.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 107' ' ' ILE . . . -33.85 127.53 0.39 Allowed 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.497 1.748 . . . . 1.1 111.523 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.49 140.58 48.61 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.427 -0.509 . . . . 0.69 110.054 -170.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -102.32 129.31 48.72 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.94 -0.763 . . . . 1.22 108.94 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.7 m -119.79 107.74 13.55 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.027 -0.533 . . . . 1.06 111.058 -172.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.9 t90 -89.45 124.96 34.96 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.177 -1.046 . . . . 0.22 108.177 169.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 2.2 ptt180 -133.93 135.19 43.41 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.204 0.526 . . . . 2.49 110.484 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.473 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.5 p -65.16 161.65 18.7 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.835 -1.075 . . . . 0.97 110.714 -172.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -60.9 -18.66 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 1.28 111.615 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.12 -29.31 21.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.153 0.501 . . . . 2.57 110.68 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.04 60.42 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.886 -0.673 . . . . 1.41 112.562 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.85 -56.39 9.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 2.64 110.655 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 6.2 mttt -79.64 120.28 23.75 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.761 -0.654 . . . . 1.81 110.557 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.3 t -137.51 118.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.666 -0.864 . . . . 1.53 108.666 178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 28' ' ' THR . 17.0 m-70 -121.84 123.39 41.66 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.383 -0.599 . . . . 0.38 109.383 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.8 117.58 32.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.674 0.749 . . . . 1.03 111.933 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.48 100.53 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.753 -1.112 . . . . 1.09 109.627 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.12 115.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.571 -1.27 . . . . 1.3 107.571 174.444 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 49.8 mt -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 114.364 1.246 . . . . 1.86 114.364 -160.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.513 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 26.9 m -63.37 5.7 0.16 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.377 0.99 . . . . 1.37 112.924 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -102.08 -1.33 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 1.05 110.121 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.517 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.2 mm -95.14 144.67 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.685 -0.689 . . . . 1.07 110.635 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.51 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.5 t70 -108.07 -41.36 4.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.727 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.518 ' HB3' HG13 ' A' ' 63' ' ' ILE . 3.9 mmtp -133.98 174.62 10.28 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.728 0.775 . . . . 2.16 111.682 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HB3' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -146.44 134.48 21.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.813 -1.085 . . . . 1.98 108.567 176.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.48 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.7 mm-40 -131.73 147.94 52.54 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.239 -0.437 . . . . 2.28 110.24 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.525 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -135.36 153.95 51.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.441 -0.345 . . . . 1.17 110.11 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.236 0.389 0 CA-C-N 116.453 -0.339 . . . . 1.15 111.503 179.671 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 32.5 mtmm . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 2.71 110.272 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -129.93 115.56 17.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.694 -0.685 . . . . 1.6 111.026 -169.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 tpp -147.2 140.9 25.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 1.26 111.023 -172.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.43 149.27 39.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.3 -0.409 . . . . 1.23 110.112 171.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 98.1 mtt180 -120.67 133.53 55.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.953 -0.567 . . . . 2.99 111.222 173.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.74 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -97.54 102.16 13.86 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.824 -1.08 . . . . 1.45 109.21 169.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.518 HG13 ' HB3' ' A' ' 47' ' ' LYS . 12.8 mm -87.02 100.7 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 118.445 0.566 . . . . 1.24 110.068 -174.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -60.18 169.8 7.49 Favored Glycine 0 N--CA 1.447 -0.619 0 O-C-N 123.565 0.54 . . . . 0.37 112.379 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 68.4 mttt . . . . . 0 C--N 1.314 -0.957 0 N-CA-C 114.45 1.278 . . . . 1.67 114.45 -170.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 CA--C 1.509 -0.619 0 N-CA-C 109.064 -0.717 . . . . 2.53 109.064 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.74 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.7 ptt180 -107.04 144.39 33.76 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 119.63 -0.828 . . . . 2.89 111.502 -173.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 85.2 m-70 -111.96 129.71 56.09 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.381 -1.281 . . . . 0.71 108.228 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.1 ttm -116.61 126.84 53.83 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.653 -0.419 . . . . 1.33 111.213 -173.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 14.5 m-85 -128.19 136.38 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 1.18 110.58 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 6.6 t -99.03 135.88 39.8 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.481 -0.327 . . . . 1.5 110.675 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.79 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.4 m-85 -112.71 178.06 4.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.11 0.481 . . . . 0.4 110.188 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.08 26.56 5.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.824 . . . . 1.58 110.312 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.556 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.2 t-20 -158.86 131.52 6.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.022 -0.535 . . . . 1.62 109.831 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' MET . 9.7 mpt_? -72.74 -33.74 66.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.129 -0.487 . . . . 4.27 110.956 -174.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.556 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 94.2 m -61.75 -50.55 71.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 1.1 109.966 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -48.63 -52.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.382 -0.826 . . . . 1.07 110.89 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 5.1 mtp -43.49 -57.78 2.93 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.3 t70 -65.92 -38.86 89.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.246 -0.434 . . . . 0.67 111.239 -174.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -52.42 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.723 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.787 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.3 mm -60.06 -41.17 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 1.07 109.571 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.644 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 17.9 mtmt -49.85 -64.46 0.8 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.422 0.63 . . . . 1.55 110.608 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.5 ttm -58.73 -51.01 71.78 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.654 -1.157 . . . . 1.92 111.938 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.0 m -48.58 -50.31 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.514 0.508 . . . . 1.07 111.615 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.7 mp -73.95 -50.54 19.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.548 0.69 . . . . 1.69 109.368 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.644 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -57.74 -42.7 84.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.414 -1.266 . . . . 2.1 112.076 -176.343 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.91 -46.0 86.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.309 0.1 . . . . 2.91 111.177 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 25' ' ' ALA . 91.4 mt -57.23 -45.55 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 1.16 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.831 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 65.0 mt -56.25 -55.15 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 115.492 -0.776 . . . . 1.14 110.779 175.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -59.45 -23.73 62.95 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.716 -0.675 . . . . 1.9 111.061 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -75.66 -35.79 60.31 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 116.106 -0.497 . . . . 3.42 110.794 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.831 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 . . . . . 0 N--CA 1.463 0.225 0 C-N-CA 120.301 -0.56 . . . . 3.1 111.29 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HA ' HG21 ' A' ' 103' ' ' THR . 43.1 m80 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 113.163 0.801 . . . . 1.21 113.163 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.617 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.9 p -157.24 165.97 34.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.306 0.574 . . . . 0.91 111.779 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.56 149.31 6.22 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.578 -1.192 . . . . 0.17 110.501 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.53 118.27 9.9 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.239 0.542 . . . . 1.07 111.719 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.864 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -126.79 172.12 10.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.145 -0.934 . . . . 1.05 110.448 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.54 135.04 59.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.392 -0.596 . . . . 1.08 109.392 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -140.68 119.11 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.45 110.586 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 52.53 58.19 5.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.375 -0.829 . . . . 1.33 112.131 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 4.1 mptt 70.36 14.57 7.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.328 -1.305 . . . . 2.85 113.731 170.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.412 HG11 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -132.76 148.49 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 1.04 110.274 171.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.62 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.5 t -100.84 154.57 18.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.709 -0.678 . . . . 1.8 112.1 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.98 -145.23 5.62 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.039 -0.982 . . . . 0.22 112.132 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.582 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.74 147.2 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.231 0.612 . . . . 1.05 109.736 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.87 131.87 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.4 -1.333 . . . . 1.06 107.4 169.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.88 119.15 12.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.422 0.153 . . . . 1.0 111.264 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.602 ' CD1' HD13 ' A' ' 104' ' ' LEU . 2.4 mp -95.03 128.09 46.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.317 1.056 . . . . 1.03 112.746 -173.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.6 m-20 -89.66 150.17 22.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.239 -1.801 . . . . 1.36 110.645 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.2 mt-10 -117.08 -133.07 0.33 Allowed 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 126.838 2.055 . . . . 1.47 108.261 -173.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.86 24.21 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 129.562 3.145 . . . . 3.67 116.34 -167.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 20' ' ' GLU . 32.3 m -96.11 -167.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.672 0 N-CA-C 105.866 -1.902 . . . . 1.47 105.866 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -70.49 152.76 95.36 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 106.039 -1.837 . . . . 1.72 106.039 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HB2' HG22 ' A' ' 41' ' ' VAL . 85.4 Cg_exo -34.5 126.09 0.2 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.78 2.32 . . . . 0.69 113.762 -144.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 19' ' ' ASN . . . -31.3 120.89 0.24 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 125.371 1.67 . . . . 1.1 111.975 -165.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -115.57 140.9 48.74 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.773 -0.648 . . . . 0.69 110.554 -168.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.21 126.62 47.95 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.342 -0.614 . . . . 1.22 109.342 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.435 ' CG2' HG12 ' A' ' 37' ' ' VAL . 4.7 m -114.92 107.35 15.27 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 116.069 -0.514 . . . . 1.06 111.047 -172.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 71.7 t90 -89.88 122.83 33.29 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.118 . . . . 0.22 107.98 168.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.527 ' HB3' HG21 ' A' ' 37' ' ' VAL . 5.7 ptt180 -130.3 138.67 50.58 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.94 -0.573 . . . . 2.49 109.615 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.486 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.1 p -70.2 161.18 30.75 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.375 -0.83 . . . . 0.97 110.663 -170.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -55.07 -37.71 67.12 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.923 0.392 . . . . 1.28 111.441 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.56 -26.35 63.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.954 -0.566 . . . . 2.57 111.118 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.58 -0.12 67.56 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.977 -0.63 . . . . 1.41 111.695 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.83 -53.39 18.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 2.64 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 11.0 mttp -85.9 131.84 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 1.81 110.486 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.9 t -143.74 117.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.678 -0.86 . . . . 1.53 108.678 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -123.85 127.28 47.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.276 -0.638 . . . . 0.38 109.276 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -115.85 122.63 45.95 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.759 0.79 . . . . 1.03 112.017 -172.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.425 ' CG1' HD12 ' A' ' 45' ' ' ILE . 27.7 t -103.75 100.48 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.638 -1.164 . . . . 1.09 109.947 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.32 116.32 9.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.1 -0.704 . . . . 1.3 109.1 175.21 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 25' ' ' ALA . 3.0 mm? -51.29 -26.66 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.804 1.039 . . . . 1.86 113.804 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.5 t -61.98 -17.64 57.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.771 0.32 . . . . 1.37 111.234 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -96.09 3.29 53.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 1.05 110.779 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.7 mm -98.57 146.8 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.933 -0.576 . . . . 1.07 111.217 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -109.64 -50.47 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.523 -0.762 . . . . 0.7 110.489 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' A' ' 48' ' ' LEU . 3.2 tmtp? -135.21 159.01 42.89 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.049 -0.722 . . . . 2.16 109.049 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.629 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -127.22 138.57 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.914 -0.491 . . . . 1.98 110.229 171.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 66.8 mt-30 -127.2 148.16 50.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 2.28 110.36 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.94 148.71 45.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.995 -0.548 . . . . 1.17 109.815 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 1.15 112.221 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 120.979 0.419 . . . . 2.71 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.637 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.1 mpp? -71.74 118.2 14.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.85 -0.614 . . . . 1.6 110.701 178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 10.3 tpp -152.11 139.95 19.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.278 -0.419 . . . . 1.26 111.867 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD22 ' CE2' ' A' ' 91' ' ' PHE . 2.5 mm? -125.1 146.65 49.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.167 -0.469 . . . . 1.23 109.865 170.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.516 ' NH2' ' HD2' ' A' ' 86' ' ' ARG . 58.2 mtp180 -120.49 141.74 49.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.432 0.634 . . . . 2.99 110.895 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.0 mm? -106.93 105.28 15.23 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.29 -1.374 . . . . 1.45 107.29 173.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -87.54 97.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.208 -1.034 . . . . 1.24 108.208 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -74.07 158.74 52.26 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.915 -0.584 . . . . 0.37 112.212 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mttt . . . . . 0 N--CA 1.437 -1.104 0 CA-C-O 122.313 1.054 . . . . 1.67 112.118 -177.266 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 109.473 -0.566 . . . . 2.53 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HD2' ' NH2' ' A' ' 61' ' ' ARG . 6.8 mtm180 -105.61 141.85 36.36 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.341 0.867 . . . . 2.89 113.341 -171.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -117.87 114.96 24.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.739 -1.208 . . . . 0.71 107.739 172.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.9 ttm -107.86 127.63 53.9 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.324 -0.551 . . . . 1.33 110.612 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -119.55 136.87 54.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 1.18 110.381 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 50.9 m -100.44 126.36 46.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.682 -0.69 . . . . 1.5 111.199 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.864 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 94.9 m-85 -112.17 178.12 4.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.305 0.574 . . . . 0.4 109.99 175.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -134.58 17.3 3.62 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.228 -0.896 . . . . 1.58 110.956 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -141.63 133.44 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 1.62 110.188 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.96 -39.6 72.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.751 -0.659 . . . . 4.27 111.437 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.7 m -62.61 -49.01 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.555 -0.293 . . . . 1.1 110.327 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 100' ' ' ILE . 52.6 t -47.11 -55.96 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 1.07 110.714 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 9.9 mtp -45.21 -64.51 0.7 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 123.41 0.444 . . . . 1.36 112.052 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.49 -40.87 72.25 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.515 0.509 . . . . 0.67 112.001 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.61 -53.42 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 1.55 110.266 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.753 ' O ' HD11 ' A' ' 104' ' ' LEU . 45.7 mm -55.45 -49.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.588 -0.523 . . . . 1.07 109.588 174.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 29.0 mtpt -41.68 -63.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.839 -0.619 . . . . 1.55 111.234 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mtm -62.92 -46.79 86.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.656 -1.156 . . . . 1.92 112.053 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.8 m -50.98 -48.95 61.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.139 0.495 . . . . 1.07 111.533 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.753 HD11 ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -75.33 -50.24 16.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.391 -0.822 . . . . 1.69 109.469 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 9.9 tm0? -53.6 -46.93 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.711 -1.131 . . . . 2.1 111.67 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 23.5 mm-40 -61.52 -46.27 90.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.679 -0.237 . . . . 2.91 111.469 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.2 mt -62.01 -41.31 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 110.066 -0.346 . . . . 1.16 110.066 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 92.4 mt -58.08 -51.18 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.411 173.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.0 t -57.41 -32.5 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 1.9 110.722 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.7 mtt180 -67.91 -29.28 68.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.488 -0.324 . . . . 3.42 111.461 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 3.1 109.624 175.627 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 m80 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 111.437 0.162 . . . . 1.21 111.437 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.3 p -148.09 166.24 28.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.414 0.626 . . . . 0.91 112.057 -176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.46 153.41 8.22 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 114.56 -1.2 . . . . 0.17 110.514 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.24 114.89 6.33 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.372 0.606 . . . . 1.07 111.963 -172.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.841 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -123.22 175.57 6.59 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.035 -0.984 . . . . 1.05 110.165 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.621 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.28 137.2 56.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 110.377 -0.231 . . . . 1.08 110.377 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 48.1 t80 -150.32 133.55 16.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.842 -0.799 . . . . 0.45 108.842 -178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 39.6 mt-10 65.03 33.83 9.33 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.168 0.508 . . . . 1.33 111.029 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.89 -5.74 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.837 -1.074 . . . . 2.85 112.816 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 13' ' ' SER . 1.9 p -96.82 148.28 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.908 -0.775 . . . . 1.04 108.908 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.621 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.5 m -96.26 153.59 17.72 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.876 -0.602 . . . . 1.8 111.498 -176.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -171.07 -146.9 5.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.709 -0.678 . . . . 0.22 111.898 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.24 144.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.566 -0.531 . . . . 1.05 109.566 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.598 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.33 133.34 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.16 -1.422 . . . . 1.06 107.16 171.067 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.91 107.93 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.846 0.355 . . . . 1.0 111.879 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.563 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -90.1 126.0 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.106 0.479 . . . . 1.03 110.245 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -112.44 127.68 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.611 -0.722 . . . . 1.36 111.39 -173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -121.42 72.68 1.01 Allowed 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.038 -1.097 . . . . 1.47 108.038 167.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.54 -25.1 9.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 123.068 1.413 . . . . 3.67 108.502 165.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.27 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 112.049 -2.341 . . . . 1.47 112.374 -161.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -73.51 169.35 18.7 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 105.79 -1.93 . . . . 1.72 105.79 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.0 Cg_exo -34.4 125.93 0.19 Allowed 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.354 2.036 . . . . 0.69 113.806 -144.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 107' ' ' ILE . . . -37.63 128.95 1.12 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.805 -1.543 . . . . 1.1 112.375 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.06 148.96 39.67 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.23 0.538 . . . . 0.69 110.147 -176.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.37 130.6 50.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.276 -0.875 . . . . 1.22 109.109 -178.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.0 m -122.35 107.07 11.66 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.262 -0.426 . . . . 1.06 110.855 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.64 130.46 35.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.434 -0.95 . . . . 0.22 108.434 171.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 7.0 ptt180 -140.6 136.21 32.55 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.045 0.45 . . . . 2.49 110.475 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.503 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 90.1 p -67.14 156.53 35.95 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.304 -0.862 . . . . 0.97 110.799 -171.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.3 p -61.28 -23.95 66.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.142 0.496 . . . . 1.28 110.54 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.45 -0.796 . . . . 2.57 110.271 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.57 12.62 60.79 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.542 -0.754 . . . . 1.41 111.955 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -58.91 1.87 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.842 0.354 . . . . 2.64 111.376 -176.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 12.4 tttp -72.46 119.72 17.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.134 -0.485 . . . . 1.81 109.932 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.1 t -135.14 128.54 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.051 -0.722 . . . . 1.53 109.051 -178.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.623 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.2 m-70 -128.42 134.12 48.72 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.241 -0.651 . . . . 0.38 109.241 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.29 125.8 48.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.285 0.564 . . . . 1.03 111.572 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.7 102.84 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.094 0.958 . . . . 1.09 110.705 -176.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -67.71 117.16 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.466 0.65 . . . . 1.3 109.562 175.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.72 -14.61 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.075 -0.966 . . . . 1.86 112.682 -169.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 35.0 t -65.9 -17.26 64.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.672 0.272 . . . . 1.37 110.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -97.64 4.59 50.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.797 0.332 . . . . 1.05 110.613 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.485 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 8.0 mm -104.86 136.87 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.496 -0.32 . . . . 1.07 110.282 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -92.34 -42.59 9.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.91 0.386 . . . . 0.7 110.844 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.632 ' HB3' HG13 ' A' ' 63' ' ' ILE . 20.7 tptm -145.19 173.86 11.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.338 0.589 . . . . 2.16 110.278 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.48 154.31 45.46 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.732 -0.84 . . . . 1.98 108.732 168.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.5 mm-40 -143.87 149.36 36.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.577 -0.738 . . . . 2.28 110.079 -170.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.485 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -125.88 163.49 22.83 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.894 -0.323 . . . . 1.17 110.467 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 HG23 ' HB3' ' A' ' 59' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 112.027 0.38 . . . . 1.15 112.027 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.381 0.61 . . . . 2.71 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.435 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 12.4 mtm -96.75 122.41 39.67 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.355 -0.839 . . . . 1.6 110.845 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.407 ' HB3' HG23 ' A' ' 51' ' ' THR . 19.0 tpp -151.37 141.5 22.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.749 -0.66 . . . . 1.26 110.868 -172.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 91' ' ' PHE . 1.7 mm? -119.5 142.73 48.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 1.23 109.326 170.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.6 mtm180 -114.59 146.04 41.27 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.695 -0.684 . . . . 2.99 110.195 172.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -115.15 113.57 24.14 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.147 -0.933 . . . . 1.45 108.828 174.174 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.632 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.4 mm -86.79 97.33 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 107.72 -1.215 . . . . 1.24 107.72 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -69.82 146.13 42.85 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.165 -1.017 . . . . 0.37 112.307 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mttt . . . . . 0 N--CA 1.441 -0.906 0 CA-C-O 121.181 0.515 . . . . 1.67 110.331 177.806 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.298 0.571 . . . . 2.53 110.031 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HG2' HD11 ' A' ' 63' ' ' ILE . 14.6 mtm180 -102.72 136.0 43.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.63 0.728 . . . . 2.89 112.745 -173.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 89.1 m-70 -108.35 124.84 50.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.546 -1.206 . . . . 0.71 108.429 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.5 ttm -118.06 129.62 55.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.789 -0.365 . . . . 1.33 110.868 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -130.56 137.93 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 1.18 110.142 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.591 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.1 t -100.96 134.17 44.35 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.623 0.249 . . . . 1.5 111.299 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.841 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 89.7 m-85 -113.1 177.39 4.65 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.631 -0.507 . . . . 0.4 109.631 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.46 34.5 2.05 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.677 -0.692 . . . . 1.58 110.503 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -154.67 131.04 10.45 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.46 -0.791 . . . . 1.62 109.867 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.406 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 22.0 mmt180 -68.1 -36.87 80.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.494 -0.775 . . . . 4.27 111.991 -173.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 m -63.8 -48.46 76.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 1.1 110.36 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 100' ' ' ILE . 54.3 t -49.4 -53.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 1.07 110.88 174.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.48 ' CE ' ' HB1' ' A' ' 50' ' ' ALA . 10.6 mtp -47.54 -54.05 12.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.015 0.376 . . . . 1.36 112.015 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.617 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 36.2 t70 -65.67 -38.53 89.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 0.67 111.418 -175.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.1 -51.48 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.55 110.742 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.77 ' O ' HD12 ' A' ' 104' ' ' LEU . 50.8 mm -59.73 -40.98 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.676 -0.49 . . . . 1.07 109.676 175.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.617 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 28.4 mtmt -51.3 -63.41 1.14 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.033 0.444 . . . . 1.55 110.284 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mtm -58.73 -44.88 90.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.051 -0.977 . . . . 1.92 111.98 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.9 m -54.31 -54.37 41.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.923 0.392 . . . . 1.07 110.878 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.6 mp -69.97 -49.31 53.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.3 -0.63 . . . . 1.69 109.3 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -47.9 -56.21 8.08 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.297 -0.865 . . . . 2.1 112.553 -178.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.29 -46.13 78.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.55 0.204 . . . . 2.91 111.55 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.483 HG22 ' HB1' ' A' ' 25' ' ' ALA . 77.3 mt -60.98 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 1.16 110.591 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.1 mt -55.39 -52.19 48.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.84 -0.618 . . . . 1.14 110.678 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.8 m -62.91 -19.91 64.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.227 -0.442 . . . . 1.9 111.663 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.491 ' NH2' ' HH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -83.6 -29.36 27.81 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.156 0.503 . . . . 3.42 109.953 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.491 ' HH ' ' NH2' ' A' ' 110' ' ' ARG . 23.0 m-85 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.495 0.664 . . . . 3.1 109.713 173.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.429 ' HA ' HG23 ' A' ' 103' ' ' THR . 37.1 m80 . . . . . 0 C--O 1.221 -0.438 0 N-CA-C 111.636 0.236 . . . . 1.21 111.636 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.616 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.6 p -148.51 162.59 39.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.736 0.779 . . . . 0.91 112.956 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.21 153.84 8.69 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 113.88 -1.509 . . . . 0.17 110.16 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.5 119.2 11.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.327 0.584 . . . . 1.07 112.187 -171.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.73 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.76 177.13 7.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.842 -1.072 . . . . 1.05 109.962 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.11 137.27 56.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 110.307 -0.257 . . . . 1.08 110.307 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.688 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 54.5 t80 -150.44 134.46 16.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.628 -0.879 . . . . 0.45 108.628 -178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.688 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.5 mt-10 65.02 32.42 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.069 0.461 . . . . 1.33 110.919 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm 68.81 -8.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.045 -0.98 . . . . 2.85 112.895 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -95.5 148.37 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.742 -0.836 . . . . 1.04 108.742 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.611 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.4 m -99.34 151.91 20.54 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.862 -0.608 . . . . 1.8 111.521 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.541 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.34 -143.79 4.55 Favored Glycine 0 CA--C 1.5 -0.845 0 C-N-CA 120.883 -0.675 . . . . 0.22 112.824 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.591 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -124.54 143.36 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 110.144 -0.317 . . . . 1.05 110.144 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.46 131.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.048 -1.464 . . . . 1.06 107.048 172.376 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.79 110.71 6.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.126 0.417 . . . . 1.0 112.126 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.664 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -93.22 129.39 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.065 0.46 . . . . 1.03 110.391 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -114.84 124.35 51.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.413 -0.812 . . . . 1.36 110.194 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -120.52 72.5 0.96 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.067 -1.086 . . . . 1.47 108.067 168.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.34 -23.77 10.16 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 123.315 1.531 . . . . 3.67 108.423 166.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.0 -170.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 111.709 -2.496 . . . . 1.47 112.128 -161.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.46 169.81 16.7 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 105.752 -1.944 . . . . 1.72 105.752 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.595 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 76.2 Cg_exo -32.84 125.01 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.627 2.218 . . . . 0.69 113.52 -145.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 107' ' ' ILE . . . -36.0 132.33 0.52 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 125.512 1.757 . . . . 1.1 112.237 -169.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.08 144.28 43.88 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.241 -0.584 . . . . 0.69 110.112 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -102.91 127.44 50.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.083 -0.962 . . . . 1.22 108.69 179.107 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.449 ' CG2' HG12 ' A' ' 37' ' ' VAL . 4.5 m -117.34 106.75 13.58 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.958 -0.565 . . . . 1.06 110.453 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.573 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 73.1 t90 -89.78 120.53 31.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.931 -1.137 . . . . 0.22 107.931 170.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.692 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 24.4 ptt85 -129.45 128.86 43.8 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.96 -0.563 . . . . 2.49 109.871 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 53.9 p -61.2 145.04 52.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.262 0.553 . . . . 0.97 111.054 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.409 ' H ' ' HA2' ' A' ' 14' ' ' GLY . 14.8 t -80.26 -7.53 59.06 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.603 -1.258 . . . . 1.28 107.603 172.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.17 22.25 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.074 -1.876 . . . . 2.57 111.4 -176.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.9 23.16 5.41 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.263 -0.97 . . . . 1.41 113.531 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 67.83 57.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.801 0.81 . . . . 2.64 112.317 166.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.692 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.3 tttt -82.25 117.14 22.14 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.533 -1.284 . . . . 1.81 107.533 166.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG23 ' CB ' ' A' ' 30' ' ' ARG . 22.4 t -115.72 130.71 69.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.229 0.538 . . . . 1.53 111.982 -164.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -133.02 122.52 24.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.568 -0.901 . . . . 0.38 108.568 177.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.89 124.47 52.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.522 0.677 . . . . 1.03 111.866 -172.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -105.59 101.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.744 -1.116 . . . . 1.09 109.914 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.5 115.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.327 -0.99 . . . . 1.3 108.327 172.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 70.0 mt -61.44 -23.41 65.83 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.607 -1.179 . . . . 1.86 112.775 -167.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.595 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 22.7 t -54.28 -17.09 2.56 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.08 -0.388 . . . . 1.37 111.548 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -93.64 1.77 56.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 120.678 0.275 . . . . 1.05 111.281 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.53 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.9 mm -99.63 141.48 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.922 0.391 . . . . 1.07 111.094 -177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 24.1 t70 -103.17 -48.46 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.7 110.549 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.563 ' HG3' ' H ' ' A' ' 48' ' ' LEU . 19.6 tptm -134.52 172.97 12.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.165 0.507 . . . . 2.16 110.134 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.55 142.34 33.53 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.845 -0.798 . . . . 1.98 108.845 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.0 mt-30 -136.34 160.47 38.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.626 -0.261 . . . . 2.28 110.396 -177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.637 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -149.33 166.18 29.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.156 -0.474 . . . . 1.17 110.319 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 120.955 0.407 . . . . 1.15 111.415 177.213 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.2 ptpp? . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 121.453 0.644 . . . . 2.71 111.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -94.78 112.54 24.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.273 -0.876 . . . . 1.6 109.323 -177.297 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.0 tpp -131.71 135.71 47.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.415 -0.357 . . . . 1.26 110.882 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.14 148.15 41.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.917 -0.583 . . . . 1.23 109.478 173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 96.1 mtt180 -121.23 147.86 45.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.45 0.643 . . . . 2.99 111.347 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -111.1 107.13 16.4 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 107.512 -1.292 . . . . 1.45 107.512 170.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.497 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.49 98.13 7.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.304 -0.999 . . . . 1.24 108.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -73.93 141.13 28.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.177 -1.011 . . . . 0.37 112.443 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 18.2 mttt . . . . . 0 CA--C 1.504 -0.81 0 N-CA-C 107.696 -1.224 . . . . 1.67 107.696 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 107.347 -1.353 . . . . 2.53 107.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' HD12 ' A' ' 63' ' ' ILE . 20.0 mtm180 -100.8 146.79 26.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.756 0.789 . . . . 2.89 112.541 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -115.55 136.88 52.63 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.296 . . . . 0.71 107.999 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -125.61 133.44 52.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.19 -0.604 . . . . 1.33 111.258 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD22 ' A' ' 62' ' ' LEU . 20.6 m-85 -128.57 139.09 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 1.18 109.996 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.6 t -110.91 136.57 49.74 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.581 -0.281 . . . . 1.5 110.452 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.73 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 41.9 m-85 -112.35 178.76 4.19 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.624 -0.88 . . . . 0.4 108.624 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.502 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 21.0 p30 -130.69 33.78 4.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.357 0.598 . . . . 1.58 110.207 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.456 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 24.6 t-20 -153.72 123.45 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.331 -0.85 . . . . 1.62 109.544 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -62.15 -38.47 89.12 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 4.27 111.309 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.456 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 58.6 m -64.54 -51.53 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.51 -0.314 . . . . 1.1 110.816 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.3 t -48.13 -58.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 115.923 -0.58 . . . . 1.07 111.863 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.647 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.6 ptm -55.29 -46.48 76.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.69 -0.404 . . . . 1.36 111.684 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.647 ' N ' ' HG3' ' A' ' 97' ' ' MET . 20.5 t70 -63.94 -40.21 95.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.511 -0.768 . . . . 0.67 111.706 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.29 -44.83 58.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.044 -0.526 . . . . 1.55 111.132 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.804 ' O ' HD12 ' A' ' 104' ' ' LEU . 42.8 mm -58.12 -45.18 88.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 N-CA-C 109.182 -0.673 . . . . 1.07 109.182 170.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.637 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 19.9 mtmt -42.91 -64.04 0.69 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.222 0.534 . . . . 1.55 111.509 175.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.3 ttp -57.47 -52.59 64.75 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.893 -1.049 . . . . 1.92 111.798 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.429 HG23 ' HA ' ' A' ' 3' ' ' HIS . 57.2 m -50.51 -45.47 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.302 -0.863 . . . . 1.07 111.323 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.7 mp -75.15 -50.74 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.491 0.662 . . . . 1.69 109.314 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -58.24 -44.66 88.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.476 -1.238 . . . . 2.1 112.368 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.8 mm100 -63.3 -45.92 89.13 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.487 -0.133 . . . . 2.91 111.226 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 25' ' ' ALA . 80.2 mt -56.35 -44.01 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.706 -0.479 . . . . 1.16 109.706 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.8 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 70.1 mt -58.08 -54.9 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 115.489 -0.778 . . . . 1.14 110.776 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -59.86 -22.35 62.19 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.6 -0.727 . . . . 1.9 110.833 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 97.5 mtt180 -72.45 -46.1 56.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.098 -0.501 . . . . 3.42 110.771 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.8 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 . . . . . 0 N--CA 1.461 0.108 0 C-N-CA 120.301 -0.56 . . . . 3.1 111.581 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.403 ' HA ' HG22 ' A' ' 103' ' ' THR . 63.9 m80 . . . . . 0 CA--C 1.519 -0.238 0 N-CA-C 112.03 0.382 . . . . 1.21 112.03 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.5 p -152.15 161.93 41.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.864 0.84 . . . . 0.91 112.778 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.02 149.47 7.51 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 113.903 -1.499 . . . . 0.17 110.413 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.83 117.74 9.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.37 0.605 . . . . 1.07 111.476 -174.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.823 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.64 170.67 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.024 -0.989 . . . . 1.05 109.776 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.626 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -129.74 134.34 63.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 109.578 -0.527 . . . . 1.08 109.578 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.645 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 45.4 t80 -147.35 130.36 16.31 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.276 -0.638 . . . . 0.45 109.276 -174.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.645 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.2 mt-10 62.35 40.56 11.08 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.279 0.561 . . . . 1.33 111.133 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 6.3 mptt 64.86 4.1 2.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.933 -1.031 . . . . 2.85 113.289 177.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -112.39 148.53 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.646 -0.502 . . . . 1.04 109.646 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.626 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 t -97.04 153.39 17.96 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.815 -0.63 . . . . 1.8 111.957 -174.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -175.08 -150.31 7.78 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.431 -0.804 . . . . 0.22 111.968 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.48 146.03 29.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.58 -0.526 . . . . 1.05 109.58 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -99.91 131.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.104 -1.443 . . . . 1.06 107.104 171.256 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.74 113.4 8.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.847 0.356 . . . . 1.0 111.554 -170.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.637 ' CD1' HD12 ' A' ' 104' ' ' LEU . 3.1 mp -93.46 125.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.546 0.689 . . . . 1.03 111.711 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.59 141.12 31.82 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.395 -1.275 . . . . 1.36 110.662 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.656 ' C ' ' H ' ' A' ' 22' ' ' VAL . 34.0 mt-10 -115.81 -147.18 0.41 Allowed 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 103.473 -2.788 . . . . 1.47 103.473 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -31.04 31.54 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 130.377 3.471 . . . . 3.67 118.271 -141.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.656 ' H ' ' C ' ' A' ' 20' ' ' GLU . 33.8 m -95.69 -166.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.869 0 CA-C-N 113.09 -1.868 . . . . 1.47 106.77 171.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.1 m -69.52 159.28 84.28 Favored Pre-proline 0 C--N 1.31 -1.151 0 N-CA-C 105.805 -1.924 . . . . 1.72 105.805 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 85.1 Cg_exo -36.18 127.14 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.458 2.105 . . . . 0.69 113.262 -149.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' HG23 ' A' ' 107' ' ' ILE . . . -34.79 128.93 0.45 Allowed 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.007 1.442 . . . . 1.1 111.667 -165.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -128.93 141.91 51.11 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.812 -0.631 . . . . 0.69 111.217 -168.168 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -102.56 129.78 49.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.561 -0.903 . . . . 1.22 108.561 177.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -122.39 107.93 12.63 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.513 -0.312 . . . . 1.06 111.22 -171.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.1 t90 -91.07 118.2 30.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.884 -0.726 . . . . 0.22 109.042 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 5.2 ptt180 -119.5 130.31 55.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.836 -0.62 . . . . 2.49 110.09 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.443 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.1 p -65.78 151.86 45.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.124 -0.489 . . . . 0.97 110.014 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.6 p -49.76 -38.38 33.64 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 1.28 111.347 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.26 -28.59 69.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.53 -0.759 . . . . 2.57 111.573 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.76 11.94 57.36 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.742 -0.663 . . . . 1.41 111.571 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.17 -47.28 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.014 0.435 . . . . 2.64 111.409 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.609 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.0 mttt -90.68 133.04 35.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.174 -0.466 . . . . 1.81 110.744 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -143.44 117.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.651 -0.87 . . . . 1.53 108.651 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -120.64 114.67 22.03 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.241 -0.652 . . . . 0.38 109.241 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.81 125.81 49.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.422 0.629 . . . . 1.03 111.429 -172.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.99 100.96 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.972 -1.013 . . . . 1.09 110.146 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.6 113.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.573 -0.899 . . . . 1.3 108.573 175.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.6 -22.3 8.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.894 1.072 . . . . 1.86 113.894 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 40.9 m -62.37 -16.87 57.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 1.37 111.363 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -102.03 8.45 40.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 1.05 110.717 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.8 mm -109.45 142.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.299 -0.41 . . . . 1.07 110.722 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -109.13 -40.07 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.086 -0.506 . . . . 0.7 111.353 -173.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.6 tmtp? -135.27 174.74 10.27 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.181 0.515 . . . . 2.16 111.154 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -144.72 139.53 27.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.233 -0.894 . . . . 1.98 109.219 177.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 96.7 mt-30 -133.18 151.94 51.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.639 -0.255 . . . . 2.28 110.403 -177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.41 145.54 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.46 -0.336 . . . . 1.17 110.461 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 1.15 111.293 179.447 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 31.7 mmmt . . . . . 0 N--CA 1.435 -1.224 0 CA-C-O 121.372 0.606 . . . . 2.71 111.866 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -137.27 113.0 9.52 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.182 -0.917 . . . . 1.6 110.161 -174.253 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.524 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.4 tpp -144.02 143.53 31.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.48 -0.782 . . . . 1.26 111.411 -170.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 91' ' ' PHE . 1.8 mm? -116.43 147.37 41.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.04 0.448 . . . . 1.23 109.801 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.535 ' NE ' ' HD2' ' A' ' 86' ' ' ARG . 73.9 mtt180 -121.06 146.13 47.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.597 0.713 . . . . 2.99 111.542 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -111.49 105.02 13.48 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.238 -1.346 . . . . 1.45 108.43 173.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 14.0 mm -87.11 99.91 9.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.787 -0.82 . . . . 1.24 108.787 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -64.67 155.59 47.56 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.849 -0.691 . . . . 0.37 113.103 -174.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.0 mttt . . . . . 0 C--N 1.319 -0.759 0 CA-C-O 121.98 0.895 . . . . 1.67 112.439 -178.065 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.298 0.57 . . . . 2.53 109.877 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD2' ' NE ' ' A' ' 61' ' ' ARG . 21.0 ttp180 -111.16 140.18 45.92 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.654 -0.703 . . . . 2.89 112.71 -167.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.8 m-70 -102.69 155.67 18.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.48 -0.933 . . . . 0.71 108.48 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.1 ttm -138.49 133.01 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.1 -0.24 . . . . 1.33 110.408 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -127.52 137.74 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.932 -0.396 . . . . 1.18 109.932 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.545 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 30.2 m -100.88 129.14 46.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.054 -0.521 . . . . 1.5 111.325 -175.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.823 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.6 m-85 -113.42 177.59 4.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.4 111.01 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -134.01 26.76 3.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.06 -0.973 . . . . 1.58 110.736 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -160.88 131.26 5.19 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.146 -0.316 . . . . 1.62 110.146 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 97' ' ' MET . 8.5 mpt_? -67.48 -30.89 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.361 -0.381 . . . . 4.27 111.062 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -61.84 -53.3 57.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.923 0.392 . . . . 1.1 110.213 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.9 t -52.57 -49.11 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 1.07 110.428 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.478 ' HE1' ' O ' ' A' ' 59' ' ' MET . 62.2 mmm -45.88 -57.3 4.46 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.607 0.595 . . . . 1.36 112.607 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 14.2 t70 -66.15 -38.99 89.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -174.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.59 -56.09 9.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 1.55 110.997 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.1 mm -59.05 -39.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 1.07 109.964 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 18.1 mtmt -49.75 -64.1 0.91 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.502 0.668 . . . . 1.55 110.619 174.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.508 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 27.2 ttm -58.52 -49.87 75.83 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 114.248 -1.342 . . . . 1.92 112.046 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 3' ' ' HIS . 96.6 m -52.19 -46.68 65.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 1.07 111.887 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.5 mp -77.04 -50.48 13.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 1.69 109.661 -175.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.569 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.51 -47.9 63.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.768 -1.106 . . . . 2.1 111.88 -178.338 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 49.0 mt-30 -62.03 -47.37 85.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.717 0.294 . . . . 2.91 111.111 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 70.5 mt -62.9 -41.59 93.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.239 -0.437 . . . . 1.16 110.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.58 -47.0 92.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.281 -0.418 . . . . 1.14 110.015 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.5 t -57.38 -34.57 68.99 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.07 -0.514 . . . . 1.9 110.926 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.2 mtt180 -60.91 -41.41 96.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.117 0.484 . . . . 3.42 110.566 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.77 0.795 . . . . 3.1 109.789 -178.324 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 . . . . . 0 C--O 1.222 -0.358 0 N-CA-C 112.547 0.573 . . . . 1.21 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 16.7 p -162.16 159.59 26.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.7 0.762 . . . . 0.91 112.828 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.69 151.01 9.19 Favored Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 114.216 -1.356 . . . . 0.17 110.427 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.593 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.75 115.58 9.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.232 0.539 . . . . 1.07 112.146 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.851 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.28 173.55 8.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.18 -0.918 . . . . 1.05 110.23 -175.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -129.51 137.52 56.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 110.044 -0.354 . . . . 1.08 110.044 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.59 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 45.8 t80 -149.98 129.87 13.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.293 -0.632 . . . . 0.45 109.293 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 48.8 mt-10 63.2 42.2 7.3 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.309 0.576 . . . . 1.33 111.244 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -4.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 2.85 113.183 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.89 147.71 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.641 -0.503 . . . . 1.04 109.641 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.607 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.4 t -96.28 157.02 16.09 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.59 -0.732 . . . . 1.8 111.348 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.12 -146.19 5.86 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.165 -0.925 . . . . 0.22 111.851 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.593 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.51 146.86 30.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.57 -0.53 . . . . 1.05 109.57 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.55 131.51 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.372 -1.344 . . . . 1.06 107.372 169.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 118.15 12.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.77 0.319 . . . . 1.0 111.775 -170.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.632 ' CD1' HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.54 122.48 47.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.392 0.615 . . . . 1.03 110.68 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -99.66 145.85 27.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.76 -1.109 . . . . 1.36 109.751 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.725 ' O ' HG21 ' A' ' 22' ' ' VAL . 41.6 mt-10 -111.87 -146.27 0.41 Allowed 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 105.833 -1.914 . . . . 1.47 105.833 -174.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.68 30.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 131.13 3.772 . . . . 3.67 118.295 -142.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 20' ' ' GLU . 32.9 m -94.88 -168.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.265 -3.106 0 CA-C-N 113.334 -1.757 . . . . 1.47 106.413 169.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -69.64 149.58 96.86 Favored Pre-proline 0 C--N 1.305 -1.333 0 N-CA-C 106.131 -1.803 . . . . 1.72 106.131 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HB2' HG23 ' A' ' 41' ' ' VAL . 83.9 Cg_exo -34.53 125.43 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.964 2.443 . . . . 0.69 113.977 -142.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 107' ' ' ILE . . . -24.99 125.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 125.647 1.842 . . . . 1.1 112.694 -168.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 6.0 mt-10 -114.46 142.79 45.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.692 0.758 . . . . 0.69 111.047 -169.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -103.47 113.72 27.45 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.475 -1.305 . . . . 1.22 107.475 -176.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 8.5 m -115.43 107.84 15.71 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.931 -0.577 . . . . 1.06 111.2 -170.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 75.9 t90 -88.0 129.02 35.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.793 -1.188 . . . . 0.22 107.793 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.603 ' CB ' HG12 ' A' ' 37' ' ' VAL . 13.3 ptt180 -137.68 135.62 36.65 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.835 0.826 . . . . 2.49 110.831 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -64.88 151.71 44.87 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.045 -1.434 . . . . 0.97 110.472 -173.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -53.47 -25.91 18.3 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -83.28 -22.76 32.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.186 0.517 . . . . 2.57 111.034 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 6.23 58.87 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.999 -0.62 . . . . 1.41 112.155 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.84 -64.19 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.799 0.333 . . . . 2.64 111.342 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.4 tttp -85.05 119.44 25.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.019 -0.537 . . . . 1.81 111.007 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.603 HG12 ' CB ' ' A' ' 30' ' ' ARG . 12.6 m -129.88 150.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-N 115.445 -0.798 . . . . 1.53 109.387 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m-70 -142.61 120.59 12.06 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.453 -0.943 . . . . 0.38 108.453 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.46 HG22 ' OG1' ' A' ' 28' ' ' THR . 1.0 OUTLIER -109.63 116.87 32.53 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.667 0.746 . . . . 1.03 111.738 -172.591 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.558 ' CG1' HD13 ' A' ' 45' ' ' ILE . 58.0 t -103.77 99.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.87 -1.059 . . . . 1.09 110.755 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -70.84 116.99 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.901 -0.777 . . . . 1.3 108.901 175.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 25' ' ' ALA . 2.4 mm? -51.75 -23.2 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.067 1.136 . . . . 1.86 114.067 -172.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -68.5 -11.33 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.944 0.402 . . . . 1.37 111.005 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 p -100.65 6.77 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 1.05 110.526 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.558 HD13 ' CG1' ' A' ' 40' ' ' VAL . 30.0 mm -99.33 146.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.972 -0.558 . . . . 1.07 111.839 -178.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -115.8 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.7 110.91 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 48.9 tptt -135.28 174.54 10.5 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.981 -0.378 . . . . 2.16 109.981 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.08 135.12 25.41 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.791 -0.818 . . . . 1.98 108.791 172.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 12.8 mm100 -125.32 147.03 49.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.266 -0.424 . . . . 2.28 110.153 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.68 155.12 48.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.103 -0.498 . . . . 1.17 109.981 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.92 0.39 . . . . 1.15 111.752 -178.796 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.406 0.622 . . . . 2.71 111.42 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.65 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 15.5 mtm -101.77 112.72 25.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.933 -1.031 . . . . 1.6 110.036 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.4 tpp -140.32 141.3 35.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.009 -0.541 . . . . 1.26 110.238 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.2 mm? -116.81 150.82 37.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.173 -0.467 . . . . 1.23 110.147 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 82.6 mtt180 -126.37 133.85 51.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 2.99 110.932 170.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.3 mm? -96.6 107.17 19.55 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.913 -1.143 . . . . 1.45 107.913 171.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.8 mm -87.52 99.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 C-N-CA 120.11 -0.636 . . . . 1.24 109.472 -177.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.58 158.69 53.65 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.721 -0.951 . . . . 0.37 110.721 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 82.9 mttt . . . . . 0 N--CA 1.435 -1.189 0 CA-C-O 121.765 0.793 . . . . 1.67 110.049 178.221 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.259 -0.645 . . . . 2.53 109.259 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 13.5 ptt180 -119.32 158.32 26.34 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.439 0.638 . . . . 2.89 111.904 -173.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 82.0 m-70 -116.08 145.92 42.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.762 -1.108 . . . . 0.71 108.557 -177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.2 ttm -132.09 129.33 39.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 118.581 0.628 . . . . 1.33 112.332 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' HD23 ' A' ' 62' ' ' LEU . 1.5 m-85 -126.43 132.99 51.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.435 -0.802 . . . . 1.18 111.78 -173.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.438 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 8.7 t -100.82 128.25 46.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.401 -0.363 . . . . 1.5 110.33 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.851 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.7 m-85 -112.34 176.95 4.8 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.247 -0.649 . . . . 0.4 109.247 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.91 31.03 2.75 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.313 0.578 . . . . 1.58 110.401 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -149.64 130.27 14.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.587 -0.733 . . . . 1.62 109.841 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.65 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 13.4 mmt180 -64.46 -43.91 92.76 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.101 -0.954 . . . . 4.27 111.572 -173.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.1 m -62.36 -48.22 80.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 1.1 110.792 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.4 t -48.85 -59.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.764 -0.653 . . . . 1.07 111.945 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.653 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.6 ptm -60.08 -48.39 81.94 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.288 -0.565 . . . . 1.36 111.105 -174.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.653 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -58.09 -37.97 75.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.825 -0.625 . . . . 0.67 111.815 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -73.34 -54.05 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.912 -0.403 . . . . 1.55 109.912 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.767 ' O ' HD12 ' A' ' 104' ' ' LEU . 44.0 mm -50.89 -46.51 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.748 -0.66 . . . . 1.07 109.776 171.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 25.1 mtpt -42.78 -64.0 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.443 0.64 . . . . 1.55 111.267 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.2 ttm -59.8 -53.8 53.76 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.626 -1.17 . . . . 1.92 112.174 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 107' ' ' ILE . 71.8 m -48.06 -46.21 33.18 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.451 0.47 . . . . 1.07 112.108 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 100' ' ' ILE . 3.8 mp -74.03 -50.99 17.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.499 0.666 . . . . 1.69 109.33 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -56.13 -43.49 78.26 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.456 -1.247 . . . . 2.1 111.958 -178.447 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -62.86 -41.87 99.54 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.689 -0.232 . . . . 2.91 111.216 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.509 HG22 ' HB1' ' A' ' 25' ' ' ALA . 59.6 mt -66.39 -37.51 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 1.16 110.217 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 104' ' ' LEU . 76.0 mt -59.05 -53.44 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.203 0.525 . . . . 1.14 109.947 172.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 t -59.45 -35.62 74.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.754 . . . . 1.9 110.459 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -55.94 -36.7 68.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 123.256 0.622 . . . . 3.42 111.989 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' A' ' 107' ' ' ILE . 28.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 3.1 110.539 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 N--CA 1.481 0.778 0 N-CA-C 111.601 -0.192 . . . . 4.35 111.601 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -82.11 44.85 0.88 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.947 0.403 . . . . 1.99 112.079 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -152.51 -7.41 0.2 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 1.21 111.0 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -150.6 173.84 13.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.18 -0.608 . . . . 0.91 112.48 -172.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.41 148.67 5.65 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 114.748 -1.115 . . . . 0.17 110.667 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.87 114.36 5.65 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.277 0.561 . . . . 1.07 111.873 -173.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.869 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -122.63 172.17 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.011 -0.995 . . . . 1.05 109.605 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.626 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -129.5 134.73 63.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 109.954 -0.387 . . . . 1.08 109.954 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 35.2 t80 -150.2 125.84 10.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.153 -0.476 . . . . 0.45 109.969 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.581 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 63.05 46.15 4.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.327 0.584 . . . . 1.33 111.405 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 69.11 -0.15 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.834 -1.075 . . . . 2.85 113.31 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 13' ' ' SER . 2.1 p -117.39 148.9 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.706 -0.479 . . . . 1.04 109.706 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.626 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.6 m -94.43 157.06 16.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.753 -0.658 . . . . 1.8 111.27 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.2 -147.49 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.997 -0.547 . . . . 0.22 112.159 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.588 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.68 146.01 32.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.467 -0.568 . . . . 1.05 109.467 175.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -100.13 133.09 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 107.297 -1.372 . . . . 1.06 107.297 170.231 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.06 108.74 5.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 1.0 112.085 -169.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.526 HD12 HD12 ' A' ' 104' ' ' LEU . 3.2 mp -87.89 126.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.286 0.565 . . . . 1.03 109.945 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.08 121.13 42.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.417 -0.811 . . . . 1.36 110.657 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -120.89 70.73 0.91 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 118.981 -1.088 . . . . 1.47 108.622 167.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -112.82 -17.06 12.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.75 1.262 . . . . 3.67 108.612 161.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 23' ' ' SER . 29.0 m -107.31 -169.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 112.687 -2.051 . . . . 1.47 111.245 -162.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.485 ' O ' HG21 ' A' ' 22' ' ' VAL . 9.0 m -72.97 169.06 19.15 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 105.655 -1.979 . . . . 1.72 105.655 174.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -34.08 125.58 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.687 2.258 . . . . 0.69 113.541 -150.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB3' HG23 ' A' ' 107' ' ' ILE . . . -36.79 130.44 0.77 Allowed 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 113.826 -1.534 . . . . 1.1 112.683 -164.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.5 mt-10 -116.97 148.1 41.71 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 120.219 -0.592 . . . . 0.69 110.012 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD11 HD23 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.98 128.92 49.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.714 . . . . 1.22 109.078 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 6.5 m -122.93 108.58 13.11 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.133 -0.485 . . . . 1.06 111.434 -171.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.16 120.71 30.78 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.63 -0.828 . . . . 0.22 108.885 171.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.5 OUTLIER -124.7 132.51 53.39 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.671 -0.695 . . . . 2.49 109.994 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.472 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 85.8 p -63.26 162.34 12.25 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.8 -0.636 . . . . 0.97 110.633 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -56.16 -35.01 66.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.212 0.53 . . . . 1.28 111.409 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.53 -28.49 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 2.57 110.96 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.91 -7.86 59.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 1.41 112.663 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.55 -50.47 65.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.127 0.489 . . . . 2.64 111.162 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 3.6 mttp -85.45 120.74 27.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.743 -0.662 . . . . 1.81 110.858 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 30' ' ' ARG . 2.6 t -132.71 126.56 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.914 -0.773 . . . . 1.53 108.914 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' ' HA ' ' A' ' 28' ' ' THR . 13.0 m-70 -129.22 115.98 18.47 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.327 -0.62 . . . . 0.38 109.327 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.9 OUTLIER -105.73 133.05 51.08 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.033 0.444 . . . . 1.03 111.38 -173.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 45' ' ' ILE . 51.1 t -121.72 102.0 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 1.09 110.664 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.31 119.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.517 0.675 . . . . 1.3 109.828 175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.92 -16.77 64.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.941 -1.027 . . . . 1.86 113.166 -168.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.8 t -65.27 -21.47 66.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 1.37 110.728 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.2 p -93.92 2.27 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 1.05 110.479 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.2 mm -99.13 139.76 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-N 115.874 -0.603 . . . . 1.07 111.807 -176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -98.6 -42.28 7.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 0.7 110.496 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.535 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.2 tmtt? -143.78 174.18 11.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.306 0.574 . . . . 2.16 110.554 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 HD11 ' HG2' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -147.26 154.77 41.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.676 -0.693 . . . . 1.98 109.146 166.469 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.5 mt-30 -142.21 162.92 34.24 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.04 -0.527 . . . . 2.28 110.545 -168.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.52 164.4 32.68 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.468 0.48 . . . . 1.17 110.087 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.84 134.23 90.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 1.15 111.625 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -60.51 147.31 94.8 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.784 2.323 . . . . 1.22 111.59 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.76 -20.2 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.6 -0.727 . . . . 1.98 112.233 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 p -70.36 -25.96 63.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.7 110.561 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -93.77 137.27 33.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.366 -0.605 . . . . 1.49 109.366 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.16 -30.78 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.113 -0.494 . . . . 2.37 111.52 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -68.87 155.05 40.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.203 0.525 . . . . 2.71 111.143 -174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.6 mpt? -113.37 119.88 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 1.6 110.369 -173.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -146.08 140.1 26.5 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.927 -0.309 . . . . 1.26 111.161 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD11 ' HB1' ' A' ' 50' ' ' ALA . 2.1 mm? -120.67 153.5 36.81 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.041 -0.726 . . . . 1.23 109.041 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.3 mtt180 -123.14 153.15 40.38 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.227 -0.442 . . . . 2.99 111.373 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.667 HD21 ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -117.01 104.43 11.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.488 -0.778 . . . . 1.45 109.071 169.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.5 mm -88.43 99.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.735 -0.469 . . . . 1.24 109.735 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.72 152.37 47.48 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.334 -0.936 . . . . 0.37 111.703 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -63.93 162.2 14.27 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.988 0.899 . . . . 1.67 111.631 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.637 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 11.4 m -115.4 170.73 5.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-N 113.939 -1.482 . . . . 2.1 111.754 -174.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 69' ' ' SER . 1.6 m-20 -58.56 150.27 23.39 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.197 -1.365 . . . . 4.14 110.023 170.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 70' ' ' LYS . 1.9 mp0 -57.8 2.35 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.594 -0.73 . . . . 4.79 112.66 176.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 67' ' ' ASP . 8.0 p -57.15 4.8 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.108 0.963 . . . . 4.96 113.132 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 68' ' ' GLU . 69.6 mttt -66.05 -1.25 2.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.564 0.697 . . . . 7.36 109.517 167.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 69' ' ' SER . 52.9 tttt -50.12 161.35 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.06 -1.427 . . . . 8.58 112.016 175.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -55.96 169.78 0.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.988 -1.005 . . . . 11.45 112.321 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 10.7 mtmp? -66.31 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 9.28 111.829 -171.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 36.4 t70 -84.2 170.99 13.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.042 -0.981 . . . . 8.74 110.96 -175.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -63.86 -28.29 69.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.561 0.22 . . . . 11.84 111.14 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -93.83 15.63 16.12 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.787 0.803 . . . . 11.2 108.904 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 87.32 -61.25 4.25 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 114.451 -1.25 . . . . 8.99 110.092 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 80' ' ' VAL . 9.5 m-80 45.13 -56.88 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.871 1.434 . . . . 9.0 114.871 -169.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 60.09 81.95 0.17 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.87 -0.789 . . . . 8.38 108.87 -171.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 2.1 m -111.24 144.57 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.475 0.655 . . . . 5.78 111.367 -172.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -120.46 124.62 27.57 Favored Pre-proline 0 C--N 1.314 -0.946 0 N-CA-C 107.965 -1.124 . . . . 4.58 107.965 168.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.79 125.62 14.04 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.928 1.752 . . . . 3.42 112.134 -173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 30.9 mmmt -71.16 117.77 59.64 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.826 -0.625 . . . . 4.83 111.401 -177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.637 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 22.4 Cg_exo -70.73 144.43 48.87 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 124.518 3.479 . . . . 1.13 113.392 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -90.41 114.93 27.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.006 -0.739 . . . . 2.53 109.006 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 22.8 ptt180 -125.11 160.91 27.98 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.434 0.635 . . . . 2.89 112.231 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.1 m-70 -114.91 151.23 34.38 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.916 -1.038 . . . . 0.71 108.897 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.502 ' HE3' ' HB3' ' B' ' 27' ' ' PHE . 32.3 ttm -133.26 130.93 39.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.251 -0.579 . . . . 1.33 111.557 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.667 ' CE2' HD21 ' A' ' 62' ' ' LEU . 2.0 m-85 -123.03 132.18 54.02 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.602 -0.726 . . . . 1.18 111.244 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.521 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.7 m -99.53 122.11 42.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.01 -0.541 . . . . 1.5 111.157 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.869 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 91.3 m-85 -112.4 178.87 4.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.382 -0.599 . . . . 0.4 109.382 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.708 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 25.2 p-10 -142.66 36.65 1.46 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 1.58 110.215 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.478 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.4 t-20 -152.83 128.12 9.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.317 -0.856 . . . . 1.62 109.422 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -71.96 -35.5 69.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 4.27 111.57 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.478 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 59.9 m -59.67 -51.04 71.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.864 0.364 . . . . 1.1 110.39 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.7 -54.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.621 -0.718 . . . . 1.07 110.617 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.487 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 6.5 mtp -45.79 -56.8 4.88 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 112.424 0.527 . . . . 1.36 112.424 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.599 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 17.0 t70 -64.12 -39.17 93.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.369 -0.378 . . . . 0.67 111.219 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.68 -50.08 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.55 110.942 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' HD13 ' A' ' 104' ' ' LEU . 51.4 mm -61.69 -41.23 89.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.569 -0.53 . . . . 1.07 109.569 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 30.7 mtmt -50.54 -60.06 3.4 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.508 0.67 . . . . 1.55 110.168 173.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.5 mtm -59.6 -50.15 74.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.43 -1.259 . . . . 1.92 112.422 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 107' ' ' ILE . 88.8 m -54.16 -48.76 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.07 111.384 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.1 mp -70.92 -51.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.085 -0.709 . . . . 1.69 109.085 -176.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -50.46 -50.83 51.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.636 -1.165 . . . . 2.1 111.88 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.579 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.1 mm-40 -66.43 -49.89 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.328 0.492 . . . . 2.91 112.328 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.519 HG23 ' HB3' ' A' ' 25' ' ' ALA . 46.4 mt -62.44 -43.69 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.594 -0.442 . . . . 1.16 110.307 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.445 ' O ' ' HD2' ' A' ' 112' ' ' LYS . 44.6 mt -53.42 -49.27 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.809 -0.632 . . . . 1.14 110.185 173.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.459 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 67.6 m -69.76 -21.81 63.41 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.669 -0.696 . . . . 1.9 112.032 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.579 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 93.8 mtt180 -68.18 -24.4 64.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.021 0.438 . . . . 3.42 110.169 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -87.7 -15.83 36.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 3.1 109.907 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.8 mttp -89.45 -51.86 5.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.195 -0.911 . . . . 2.18 111.052 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -75.27 -35.61 61.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.804 0.812 . . . . 1.6 109.52 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 110' ' ' ARG . . . 63.25 31.28 15.56 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 113.693 -1.594 . . . . 1.53 112.182 171.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.716 -0.659 . . . . 2.23 109.863 177.556 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.561 0.219 . . . . 3.79 110.654 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.6 p -84.53 -44.81 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 3.18 111.373 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -56.59 -29.75 62.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.392 0.615 . . . . 4.1 110.307 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.484 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 3.5 m-20 -64.23 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.026 -0.988 . . . . 2.67 110.561 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.62 -26.17 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 2.16 110.865 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.725 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 18.2 m-85 -63.49 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 2.44 111.698 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -82.29 -15.04 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 2.97 110.107 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 6.7 mmpt? -80.94 -48.21 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 3.28 110.81 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.725 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 33.0 p-90 -68.94 -25.75 64.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.588 -0.445 . . . . 1.24 110.871 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.426 ' HZ3' ' SD ' ' A' ' 88' ' ' MET . 0.9 OUTLIER -65.62 -40.37 92.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 1.02 109.879 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -79.64 -35.09 39.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.72 -0.673 . . . . 3.92 110.456 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -60.89 -43.96 97.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 2.15 110.298 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -67.84 -29.64 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 2.41 110.386 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.08 -40.13 53.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 3.14 110.29 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.35 -21.33 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.58 110.93 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -66.19 -46.02 78.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 4.0 110.216 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -73.76 -36.64 65.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 3.22 110.158 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.8 ttt -83.98 72.09 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.313 0.577 . . . . 4.79 109.943 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.724 -1.042 . . . . 6.18 112.102 -178.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.479 0.62 0 N-CA-C 111.024 -0.414 . . . . 4.35 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 78.1 p 58.83 176.3 0.07 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.068 0.947 . . . . 1.99 112.655 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.512 ' HA ' HG21 ' A' ' 103' ' ' THR . 47.8 m80 70.65 -44.57 0.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.201 1.185 . . . . 1.21 114.201 174.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.591 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 7.9 p -140.07 157.48 45.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.83 1.048 . . . . 0.91 113.83 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 174.04 154.93 11.26 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 113.588 -1.642 . . . . 0.17 110.112 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.27 116.77 8.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.322 0.582 . . . . 1.07 112.087 -172.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.827 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.49 173.22 7.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.064 -0.971 . . . . 1.05 110.157 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.624 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.7 mp -131.99 135.68 58.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.052 -0.522 . . . . 1.08 109.899 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.633 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 44.8 t80 -149.21 131.89 15.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.815 -0.809 . . . . 0.45 108.815 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.633 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.6 mt-10 64.24 32.3 12.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.557 0.694 . . . . 1.33 110.398 -176.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 65.09 3.22 2.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.564 -1.198 . . . . 2.85 112.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 p -103.64 148.66 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.908 -0.775 . . . . 1.04 108.908 171.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.624 ' HA ' HG13 ' A' ' 8' ' ' ILE . 15.4 t -98.51 154.0 18.21 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.32 0.581 . . . . 1.8 111.96 -174.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.12 -148.14 6.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.906 -1.043 . . . . 0.22 111.791 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.58 145.09 31.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.615 -0.513 . . . . 1.05 109.615 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.591 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.36 132.92 45.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.888 -1.523 . . . . 1.06 106.888 170.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.86 5.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.187 0.44 . . . . 1.0 112.187 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' CD1' HD13 ' A' ' 104' ' ' LEU . 3.9 mp -92.61 131.04 40.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.884 0.373 . . . . 1.03 110.131 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -119.24 129.26 54.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.852 -0.613 . . . . 1.36 110.757 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -120.27 72.71 0.95 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.753 -1.203 . . . . 1.47 107.753 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -112.91 -23.3 10.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.982 1.372 . . . . 3.67 108.553 164.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.16 -169.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 112.08 -2.327 . . . . 1.47 111.568 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.485 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 49.9 p -73.04 168.56 23.62 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 105.419 -2.067 . . . . 1.72 105.419 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.632 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 77.1 Cg_exo -33.29 125.64 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.594 2.196 . . . . 0.69 113.912 -146.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.28 130.01 0.36 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 125.527 1.767 . . . . 1.1 112.307 -169.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.43 145.05 42.34 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.859 -0.737 . . . . 0.69 110.085 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.56 129.72 50.83 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.718 -1.128 . . . . 1.22 108.876 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -120.62 107.87 13.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 120.845 -0.342 . . . . 1.06 110.768 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 87.4 t90 -89.35 114.96 26.44 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 119.115 -1.034 . . . . 0.22 108.27 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HB3' HG23 ' A' ' 37' ' ' VAL . 2.1 ptt180 -124.46 122.74 38.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.392 -0.822 . . . . 2.49 110.284 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.6 p -58.23 154.0 14.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.85 -1.068 . . . . 0.97 111.342 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -52.11 -39.35 59.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 1.28 111.378 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -67.15 -26.48 66.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 2.57 111.585 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.08 3.59 63.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 1.41 112.042 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.12 -62.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 2.64 110.721 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.0 mttt -80.27 128.77 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.834 -0.621 . . . . 1.81 111.468 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG23 ' HB3' ' A' ' 30' ' ' ARG . 4.8 t -139.43 117.49 11.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.897 -0.779 . . . . 1.53 108.897 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.25 116.07 24.19 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.009 -0.737 . . . . 0.38 109.009 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.47 119.6 39.97 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.643 0.735 . . . . 1.03 111.845 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -106.83 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.787 -1.097 . . . . 1.09 110.362 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -68.62 116.84 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.359 -0.978 . . . . 1.3 108.359 171.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.037 -0.983 . . . . 1.86 112.563 -168.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.632 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 44.9 t -52.6 -23.42 6.42 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.636 0.255 . . . . 1.37 111.672 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -88.25 -2.53 58.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.216 0.531 . . . . 1.05 110.86 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 10.2 mm -100.77 145.16 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.589 -0.732 . . . . 1.07 110.032 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 14.7 t70 -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.7 110.114 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.581 ' HB3' HG13 ' A' ' 63' ' ' ILE . 4.2 tmtp? -135.38 174.95 10.04 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.288 0.566 . . . . 2.16 110.22 -175.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 48' ' ' LEU . 2.4 pt? -142.81 154.06 43.83 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 1.98 108.479 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.475 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.1 mt-30 -135.38 145.69 47.6 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.93 -0.308 . . . . 2.28 110.27 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.509 ' HB2' ' HD2' ' A' ' 101' ' ' LYS . . . -135.19 145.83 48.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 1.17 110.735 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 p -77.58 153.21 81.18 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 1.15 112.519 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.88 139.05 69.74 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.012 3.142 . . . . 1.22 113.292 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -73.57 -20.2 60.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.901 -0.591 . . . . 1.98 110.095 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -73.54 -12.22 60.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.096 -0.956 . . . . 1.7 110.553 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.9 t -102.4 166.89 10.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.727 -0.669 . . . . 1.49 109.645 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.43 -39.08 33.19 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.956 0.408 . . . . 2.37 110.17 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.07 118.48 8.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.564 -0.743 . . . . 2.71 111.871 -167.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.566 ' SD ' ' HD2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -98.57 113.01 24.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.852 -0.613 . . . . 1.6 110.04 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 tpp -139.44 145.55 38.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 1.26 110.872 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -126.19 143.62 51.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.192 0.52 . . . . 1.23 109.844 168.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 69.7 mtt180 -112.27 148.44 34.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.474 -0.785 . . . . 2.99 111.327 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -111.6 103.34 11.65 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.743 -1.117 . . . . 1.45 108.873 172.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.581 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.0 mm -87.73 98.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.589 -0.522 . . . . 1.24 109.589 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.64 149.7 49.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.943 -0.646 . . . . 0.37 112.239 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -66.2 161.02 22.95 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 122.445 1.117 . . . . 1.67 112.384 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.44 135.42 56.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 113.307 -1.77 . . . . 2.1 109.426 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.37 132.65 38.65 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.469 -0.567 . . . . 4.14 109.469 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.63 -15.8 63.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 4.79 110.9 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 p -82.38 -23.42 34.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.127 0.489 . . . . 4.96 110.507 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -87.07 -5.93 58.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.607 -0.724 . . . . 7.36 110.006 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.78 153.05 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.995 -1.002 . . . . 8.58 111.414 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -126.66 157.9 37.76 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.356 -0.838 . . . . 11.45 111.636 -173.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -118.59 149.81 40.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.041 -0.981 . . . . 9.28 108.77 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.8 -172.77 2.36 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.746 -0.835 . . . . 8.74 108.746 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -60.67 -30.24 69.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.638 0.654 . . . . 11.84 112.058 -171.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -92.58 12.93 21.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.618 0.247 . . . . 11.2 111.427 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.25 39.19 97.38 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 121.28 -0.486 . . . . 8.99 112.21 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -60.46 -32.23 71.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.799 0.666 . . . . 9.0 112.799 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.95 76.72 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.36 0.6 . . . . 8.38 109.488 -175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.8 145.49 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.469 -0.787 . . . . 5.78 110.596 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.75 128.26 82.15 Favored Pre-proline 0 N--CA 1.444 -0.748 0 N-CA-C 109.425 -0.583 . . . . 4.58 109.425 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.71 150.97 57.28 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.401 2.067 . . . . 3.42 111.226 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 75.4 mmtt -64.11 117.77 39.63 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-O 121.401 0.62 . . . . 4.83 110.443 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 47.6 Cg_exo -59.73 137.02 74.4 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 123.668 2.912 . . . . 1.13 111.98 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.51 115.34 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.612 -0.514 . . . . 2.53 109.612 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.9 ptp180 -113.33 151.91 30.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.744 0.783 . . . . 2.89 112.789 -169.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 60.3 m-70 -107.04 155.32 19.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.86 -1.163 . . . . 0.71 107.86 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.3 ttm -134.09 129.62 36.24 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.631 -0.428 . . . . 1.33 110.609 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD22 ' A' ' 62' ' ' LEU . 7.1 m-85 -124.51 133.36 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.065 0.459 . . . . 1.18 109.774 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.43 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.8 m -92.3 147.79 22.64 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.395 -0.82 . . . . 1.5 109.948 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.827 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 97.3 m-85 -120.06 177.3 5.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.29 0.567 . . . . 0.4 110.183 167.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.48 26.81 5.91 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.086 -0.961 . . . . 1.58 110.433 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -157.69 135.03 10.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.179 -0.464 . . . . 1.62 109.809 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 14.3 mmm180 -72.39 -35.23 68.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.056 -0.52 . . . . 4.27 111.808 -173.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.1 m -67.3 -48.74 66.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.994 0.426 . . . . 1.1 110.428 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 100' ' ' ILE . 26.0 t -46.81 -57.52 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.274 -0.876 . . . . 1.07 111.95 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.657 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.8 ptm -55.07 -51.33 66.69 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.381 -0.528 . . . . 1.36 111.18 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.657 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -56.23 -41.1 75.13 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.606 0.566 . . . . 0.67 111.81 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -50.1 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.009 0.433 . . . . 1.55 110.529 175.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.761 ' O ' HD11 ' A' ' 104' ' ' LEU . 48.5 mm -59.73 -42.87 90.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.732 -0.667 . . . . 1.07 110.173 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.657 ' HG3' ' O ' ' A' ' 97' ' ' MET . 1.3 mtpt -49.01 -63.11 1.19 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.43 0.633 . . . . 1.55 110.138 175.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.96 -44.29 91.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.552 -1.204 . . . . 1.92 112.076 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.512 HG21 ' HA ' ' A' ' 3' ' ' HIS . 62.3 m -54.48 -57.86 9.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.278 0.561 . . . . 1.07 110.87 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.761 HD11 ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -66.33 -50.62 62.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.224 -0.898 . . . . 1.69 109.622 -174.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.533 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -43.01 -50.73 5.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.845 -1.071 . . . . 2.1 112.101 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.651 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 55.8 mt-30 -71.25 -51.74 22.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.379 -0.343 . . . . 2.91 111.77 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.526 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 71.2 mt -52.21 -47.91 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.395 0.617 . . . . 1.16 110.072 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 1.11 HG12 ' OH ' ' A' ' 111' ' ' TYR . 68.7 mt -55.74 -56.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 114.876 -1.056 . . . . 1.14 110.521 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -60.19 -22.61 63.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.77 0.319 . . . . 1.9 111.28 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.651 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 85.8 mtt180 -68.55 -43.12 77.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.592 -0.276 . . . . 3.42 110.663 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 1.11 ' OH ' HG12 ' A' ' 108' ' ' ILE . 1.5 p90 -92.72 -14.83 27.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.299 0.571 . . . . 3.1 110.687 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.58 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 20.8 tttm -67.74 -49.46 62.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.991 -1.004 . . . . 2.18 109.581 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.44 -29.93 42.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 1.6 109.72 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.96 17.25 6.31 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.162 -1.381 . . . . 1.53 111.476 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.623 -0.703 . . . . 2.23 109.708 175.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.655 0.264 . . . . 3.79 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -67.41 -37.14 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.673 0.62 . . . . 3.18 112.673 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.57 -34.69 71.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.425 0.631 . . . . 4.1 109.924 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.24 -38.0 27.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.235 -0.893 . . . . 2.67 110.261 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 t70 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.079 -0.964 . . . . 2.16 111.235 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.12 -24.35 62.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.416 -0.356 . . . . 2.44 111.885 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -92.9 -39.8 10.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.417 0.627 . . . . 2.97 109.516 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' HB3' ' HA ' ' B' ' 26' ' ' ASP . 80.2 tttt -64.05 -49.14 73.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.097 -0.956 . . . . 3.28 111.913 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.689 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 3.3 p-90 -66.89 -28.2 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.24 111.207 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 0.9 OUTLIER -75.24 -45.04 42.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.246 0.546 . . . . 1.02 110.051 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -67.39 -30.44 70.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.559 -0.746 . . . . 3.92 111.838 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.0 p -75.61 -25.78 57.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.869 0.366 . . . . 2.15 110.915 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.689 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 14.5 mm-40 -72.86 -45.13 60.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.171 0.51 . . . . 2.41 109.729 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 34.8 mt-10 -64.51 -35.56 81.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 3.14 110.78 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 -29.53 68.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 2.58 110.95 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.17 -39.76 65.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.686 -0.487 . . . . 4.0 109.686 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.49 -56.29 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 3.22 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 73.4 mtm -89.77 71.82 7.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.918 0.39 . . . . 4.79 110.249 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.633 -1.093 . . . . 6.18 111.76 -179.603 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.478 0.604 0 N-CA-C 110.774 -0.51 . . . . 4.35 110.774 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -93.79 135.65 34.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.214 -0.448 . . . . 1.99 110.527 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.402 ' HA ' HG21 ' A' ' 103' ' ' THR . 57.8 m80 65.47 -8.09 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.229 0.611 . . . . 1.21 112.642 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.619 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 17.5 p -154.45 165.15 37.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.48 0.657 . . . . 0.91 112.176 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.33 149.91 6.64 Favored Glycine 0 N--CA 1.439 -1.155 0 CA-C-N 114.466 -1.243 . . . . 0.17 110.597 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 114.45 5.92 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.306 0.574 . . . . 1.07 111.555 -174.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.793 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -123.28 177.24 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 1.05 110.049 -176.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.588 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.5 mp -131.18 136.7 57.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 110.214 -0.291 . . . . 1.08 110.214 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 65.3 t80 -150.23 136.27 18.6 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.729 -0.841 . . . . 0.45 108.729 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.653 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.8 mt-10 63.89 31.94 13.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.504 0.669 . . . . 1.33 110.87 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 64.35 5.07 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.616 -1.175 . . . . 2.85 113.12 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 9' ' ' PHE . 1.5 p -107.0 149.03 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.873 -0.788 . . . . 1.04 108.873 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.588 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 m -92.94 151.0 20.19 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.077 -0.511 . . . . 1.8 111.837 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -167.71 -151.56 7.07 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.714 -0.675 . . . . 0.22 111.804 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.21 146.18 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.15 -0.685 . . . . 1.05 109.15 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.47 130.45 49.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.252 -1.388 . . . . 1.06 107.252 170.237 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.65 111.0 7.03 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.07 0.396 . . . . 1.0 112.07 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.597 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.5 mp -94.6 127.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.004 0.431 . . . . 1.03 110.125 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -116.91 130.86 56.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.653 -0.703 . . . . 1.36 110.359 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -124.56 72.72 1.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.174 -1.047 . . . . 1.47 108.174 168.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -112.93 -21.63 11.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.21 1.481 . . . . 3.67 108.348 165.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -168.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 111.832 -2.44 . . . . 1.47 111.859 -160.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 44.1 p -72.64 169.27 17.82 Favored Pre-proline 0 C--N 1.314 -0.958 0 N-CA-C 105.686 -1.968 . . . . 1.72 105.686 173.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 50.1 Cg_exo -34.61 126.67 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.607 2.204 . . . . 0.69 113.649 -148.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HB1' HG21 ' A' ' 107' ' ' ILE . . . -39.18 132.76 1.33 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 125.096 1.498 . . . . 1.1 112.33 -166.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -118.08 146.57 44.01 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.31 0.576 . . . . 0.69 110.286 -174.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 HD12 HD23 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -103.53 128.33 50.77 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.059 -0.973 . . . . 1.22 108.841 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 37' ' ' VAL . 5.0 m -119.25 107.62 13.64 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 120.666 -0.414 . . . . 1.06 110.917 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.496 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.2 t90 -88.46 119.13 28.61 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.902 -1.148 . . . . 0.22 107.902 168.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.567 ' CB ' HG21 ' A' ' 37' ' ' VAL . 17.9 ptt180 -129.34 128.17 42.56 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 115.873 -0.603 . . . . 2.49 110.096 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 79.9 p -62.79 149.4 44.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.446 -0.797 . . . . 0.97 110.549 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.448 HG23 ' HA2' ' A' ' 14' ' ' GLY . 16.5 p -59.48 -29.1 67.59 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.046 -0.525 . . . . 1.28 111.648 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 1.8 p-10 -71.33 -19.25 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 2.57 111.349 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.81 6.69 69.55 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.957 -0.64 . . . . 1.41 113.117 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 5.9 t70 -88.8 -50.95 5.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.929 0.395 . . . . 2.64 111.101 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.558 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 9.8 mttp -88.61 126.8 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.546 . . . . 1.81 111.571 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.567 HG21 ' CB ' ' A' ' 30' ' ' ARG . 3.5 t -138.41 125.23 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.738 -0.838 . . . . 1.53 108.738 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' THR . 19.2 m-70 -128.4 117.22 21.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.784 -0.451 . . . . 0.38 109.784 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -105.71 116.33 31.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.728 0.775 . . . . 1.03 112.046 -173.439 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 ' CG1' HD12 ' A' ' 45' ' ' ILE . 54.4 t -102.01 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.685 -1.143 . . . . 1.09 110.3 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.43 118.11 14.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.028 -0.73 . . . . 1.3 109.028 175.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.2 -17.41 63.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.02 -0.991 . . . . 1.86 113.368 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.0 t -71.4 -9.23 57.83 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.045 -0.262 . . . . 1.37 111.193 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 3.14 42.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.059 0.457 . . . . 1.05 110.467 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 36.7 mm -100.05 145.24 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.823 -0.626 . . . . 1.07 111.916 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t70 -103.32 -48.82 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.419 -0.81 . . . . 0.7 111.123 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.558 ' HB3' HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -136.67 172.81 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 2.16 109.979 -174.603 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.7 pt? -145.17 150.38 36.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.051 -0.522 . . . . 1.98 109.6 166.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 56.9 mt-30 -126.24 148.14 49.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.991 -0.374 . . . . 2.28 109.991 -177.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.43 134.86 24.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.202 -0.454 . . . . 1.17 110.198 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 p -67.36 151.99 96.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 1.15 111.754 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -67.02 145.87 75.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.273 2.649 . . . . 1.22 112.187 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.84 62.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 1.98 111.153 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 p -71.49 -31.79 67.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.274 0.559 . . . . 1.7 110.033 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.48 158.5 28.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.638 -0.71 . . . . 1.49 109.902 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -39.43 35.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 2.37 109.837 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 57' ' ' LYS . 31.0 mmmt -67.1 127.63 33.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.073 -0.967 . . . . 2.71 112.09 -171.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.594 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -102.7 113.08 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.244 -0.889 . . . . 1.6 110.431 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.443 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 5.5 tpp -141.12 139.01 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.26 111.498 -174.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -121.08 154.9 35.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.845 -0.616 . . . . 1.23 109.609 170.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 80.6 mtt180 -126.09 150.58 48.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.168 -0.469 . . . . 2.99 111.068 171.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.595 HD21 ' CE2' ' A' ' 89' ' ' PHE . 1.1 mm? -111.17 114.46 27.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.354 -0.98 . . . . 1.45 108.354 168.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -99.11 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.586 -0.524 . . . . 1.24 109.586 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -68.75 156.32 53.4 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.127 -1.035 . . . . 0.37 112.812 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 23.6 mtpt -74.28 147.43 42.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 1.67 111.187 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.4 m -115.23 147.08 18.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.003 -0.999 . . . . 2.1 109.034 174.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.85 115.27 14.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.11 0.481 . . . . 4.14 110.001 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.67 -29.48 64.64 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.594 -0.73 . . . . 4.79 112.357 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -91.59 -27.43 18.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.688 0.625 . . . . 4.96 112.688 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -67.14 -33.7 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.758 -0.377 . . . . 7.36 111.67 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HE2' ' CG2' ' A' ' 80' ' ' VAL . 39.1 tttt -92.75 158.31 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.368 -0.533 . . . . 8.58 110.343 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -130.21 170.3 14.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.159 -0.928 . . . . 11.45 110.235 -174.459 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.548 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 9.7 mtmp? -69.28 167.27 16.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.33 0.586 . . . . 9.28 111.233 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.43 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 3.3 t70 -104.03 -162.99 0.94 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.418 -0.81 . . . . 8.74 110.916 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -66.19 -32.52 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.297 0.481 . . . . 11.84 112.297 -173.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -104.94 16.06 26.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.521 0.677 . . . . 11.2 109.463 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 89.72 -61.7 3.43 Favored Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 108.457 -1.857 . . . . 8.99 108.457 -171.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.43 ' OD1' ' HB3' ' A' ' 74' ' ' ASP . 16.5 m120 54.9 -38.87 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.74 1.756 . . . . 9.0 115.74 177.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 11.9 pt-20 44.42 59.6 3.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.149 0.976 . . . . 8.38 110.548 -172.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' CG2' ' HE2' ' A' ' 71' ' ' LYS . 1.8 m -77.14 148.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.961 -1.018 . . . . 5.78 109.728 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.88 129.97 23.41 Favored Pre-proline 0 C--N 1.31 -1.134 0 N-CA-C 109.466 -0.568 . . . . 4.58 109.466 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -67.01 132.35 27.87 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.189 1.926 . . . . 3.42 110.987 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 44.3 mmtm -60.81 118.57 36.32 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.479 0.657 . . . . 4.83 111.046 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.57 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 32.2 Cg_exo -63.34 137.46 60.66 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 123.828 3.019 . . . . 1.13 111.782 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.9 115.01 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.164 -0.68 . . . . 2.53 109.164 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.477 ' HG2' HD11 ' A' ' 63' ' ' ILE . 97.3 mtt180 -103.27 162.99 12.53 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.859 0.838 . . . . 2.89 112.551 -174.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.547 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 83.0 m-70 -136.05 127.61 28.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.927 -1.488 . . . . 0.71 108.103 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.0 ttm -118.54 136.98 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.044 -0.662 . . . . 1.33 111.628 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.595 ' CE2' HD21 ' A' ' 62' ' ' LEU . 3.2 m-85 -128.7 129.96 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.316 -0.856 . . . . 1.18 111.606 -175.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.533 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 14.4 t -100.44 129.21 46.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 1.5 110.012 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.793 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 95.5 m-85 -109.69 179.77 4.03 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.463 -0.569 . . . . 0.4 109.463 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -120.2 20.88 11.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.87 -0.605 . . . . 1.58 111.252 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.629 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.3 t-20 -166.92 138.34 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.597 0.237 . . . . 1.62 110.54 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.0 OUTLIER -80.03 -24.1 41.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.981 0.363 . . . . 4.27 111.981 -176.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.629 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 19.2 m -64.56 -44.57 90.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.357 -0.609 . . . . 1.1 109.357 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -51.78 -53.18 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 115.716 -0.674 . . . . 1.07 109.985 169.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.1 mtp -43.5 -64.99 0.55 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.603 0.565 . . . . 1.36 112.297 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 101' ' ' LYS . 38.9 t70 -55.29 -35.33 64.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.734 0.302 . . . . 0.67 111.615 -174.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -69.36 -57.4 5.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 1.55 110.902 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 104' ' ' LEU . 50.3 mm -56.44 -46.01 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.012 -0.366 . . . . 1.07 110.012 176.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 39.0 mtpt -47.08 -63.75 0.96 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.432 0.634 . . . . 1.55 110.685 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.5 mtm -58.43 -49.82 75.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.6 -1.182 . . . . 1.92 112.01 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.402 HG21 ' HA ' ' A' ' 3' ' ' HIS . 93.8 m -49.84 -52.11 34.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.144 0.497 . . . . 1.07 111.106 -178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -70.88 -53.38 15.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.507 -0.77 . . . . 1.69 109.683 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.479 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -49.4 -48.87 46.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.43 -0.805 . . . . 2.1 111.978 -176.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 56.3 mt-30 -64.15 -45.99 86.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.782 -0.19 . . . . 2.91 111.313 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.525 HG21 ' HB1' ' A' ' 25' ' ' ALA . 72.3 mt -65.21 -42.98 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.76 0.314 . . . . 1.16 110.374 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.449 HD11 HD23 ' A' ' 48' ' ' LEU . 96.4 mt -57.58 -44.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 1.14 109.889 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.42 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 32.2 t -59.84 -34.33 72.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.756 -0.656 . . . . 1.9 110.725 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.7 mtt180 -60.8 -38.36 85.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 3.42 110.864 177.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.503 ' CE2' HG23 ' A' ' 107' ' ' ILE . 23.1 m-85 -86.97 -16.55 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.257 0.551 . . . . 3.1 110.123 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 37.2 mttm -70.97 -43.4 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.47 -0.786 . . . . 2.18 110.316 173.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -81.78 -33.98 30.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.809 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.54 18.52 8.89 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.309 -1.314 . . . . 1.53 112.074 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.575 -0.726 . . . . 2.23 110.112 178.048 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 111.388 0.144 . . . . 3.79 111.388 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -74.37 -55.68 5.72 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 111.926 0.343 . . . . 3.18 111.926 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -69.27 -27.63 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.783 -0.451 . . . . 4.1 109.783 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.97 -42.37 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.564 -0.744 . . . . 2.67 109.958 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.431 ' O ' ' HD1' ' B' ' 30' ' ' TRP . 18.8 t70 -65.83 -36.08 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.377 -0.829 . . . . 2.16 110.346 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.728 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 21.8 m-85 -64.32 -23.35 67.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.881 -0.599 . . . . 2.44 111.909 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -85.01 -28.92 25.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.837 0.351 . . . . 2.97 110.206 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -74.94 -48.0 26.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.167 -0.469 . . . . 3.28 111.599 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.728 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 23.6 p-90 -73.38 -16.26 61.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.124 0.487 . . . . 1.24 110.407 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.474 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.8 t-105 -87.36 -48.77 7.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.748 -0.66 . . . . 1.02 110.63 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.06 -25.97 47.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 3.92 111.094 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.5 p -62.1 -34.68 76.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.312 0.577 . . . . 2.15 109.944 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.11 -34.2 56.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.63 -0.714 . . . . 2.41 110.689 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 44.6 mt-10 -66.9 -42.4 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 3.14 110.653 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -20.28 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 2.58 112.057 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -65.1 -39.55 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.964 0.412 . . . . 4.0 110.672 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -98.48 -48.25 5.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 3.22 110.292 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.7 mmm -89.49 69.01 7.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.794 -0.639 . . . . 4.79 109.966 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 118.126 -1.375 . . . . 6.18 111.287 -179.159 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.491 0 N-CA-C 110.692 -0.542 . . . . 4.35 110.692 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p 55.0 -165.84 0.1 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.829 0.852 . . . . 1.99 112.213 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.457 ' HA ' HG22 ' A' ' 103' ' ' THR . 63.3 m80 76.03 -32.72 0.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.321 0.86 . . . . 1.21 113.321 174.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.633 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 35.5 p -141.99 162.93 34.24 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 113.232 0.827 . . . . 0.91 113.232 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.64 152.84 7.34 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.057 -1.429 . . . . 0.17 110.972 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.98 116.97 8.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.324 0.583 . . . . 1.07 112.512 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.811 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -126.32 176.13 7.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.901 -1.045 . . . . 1.05 110.037 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.616 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -131.25 137.25 56.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.555 0.217 . . . . 1.08 110.701 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 42.5 t80 -150.27 132.93 15.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.099 -0.704 . . . . 0.45 109.099 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.649 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 55.0 mt-10 63.11 40.68 8.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.126 0.489 . . . . 1.33 111.766 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.7 mptp? 62.68 5.29 1.66 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.94 -1.027 . . . . 2.85 113.416 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -113.68 148.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.375 -0.602 . . . . 1.04 109.375 173.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.616 ' HA ' HG13 ' A' ' 8' ' ' ILE . 12.7 t -97.2 156.01 16.6 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.791 -0.64 . . . . 1.8 111.519 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.524 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.4 -149.27 7.49 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.428 -0.805 . . . . 0.22 112.698 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -122.04 143.08 35.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.622 -0.51 . . . . 1.05 109.622 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.633 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.11 134.11 40.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 107.235 -1.395 . . . . 1.06 107.235 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.92 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.888 0.375 . . . . 1.0 111.752 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 2.7 mp -87.27 122.29 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 1.03 109.829 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -110.72 128.86 55.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 1.36 110.95 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -122.97 72.32 1.09 Allowed 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 107.736 -1.209 . . . . 1.47 107.736 167.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -111.34 -23.4 10.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.076 1.417 . . . . 3.67 108.335 167.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 m -107.66 -169.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 112.075 -2.329 . . . . 1.47 111.745 -163.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.78 170.66 13.43 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 104.823 -2.288 . . . . 1.72 104.823 172.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -31.88 126.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.919 2.413 . . . . 0.69 114.09 -147.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' HG23 ' A' ' 107' ' ' ILE . . . -40.4 139.22 0.79 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 113.381 -1.736 . . . . 1.1 112.349 -166.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.2 mt-10 -114.09 151.47 32.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.111 -0.495 . . . . 0.69 110.036 -176.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -104.44 128.41 52.33 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.88 -1.156 . . . . 1.22 107.88 170.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -124.04 107.72 11.6 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.126 -0.488 . . . . 1.06 110.661 -172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.54 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.9 t90 -92.15 124.24 36.09 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.948 -0.76 . . . . 0.22 108.948 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.753 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.0 ptt180 -128.1 123.64 35.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.922 -0.581 . . . . 2.49 110.545 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.524 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 62.1 p -58.66 143.19 47.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.451 0.643 . . . . 0.97 111.267 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 5.8 t -78.64 -7.49 57.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.642 1.21 . . . . 1.28 107.783 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 21.28 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.219 -1.809 . . . . 2.57 112.9 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 23.91 5.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.847 -1.168 . . . . 1.41 113.776 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 t70 71.9 66.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.036 0.922 . . . . 2.64 112.76 165.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.753 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 33.3 tttp -90.43 118.06 29.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.586 -1.264 . . . . 1.81 107.586 165.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 30' ' ' ARG . 16.4 t -112.85 130.3 66.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 121.315 0.579 . . . . 1.53 111.735 -167.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.644 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.7 m-70 -131.95 121.35 23.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.331 -0.988 . . . . 0.38 108.331 175.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.405 HG21 ' HB3' ' A' ' 26' ' ' GLU . 1.5 m -111.23 134.8 52.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.286 0.565 . . . . 1.03 111.718 -170.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 38.8 t -122.34 104.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 1.09 111.079 -175.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.53 115.72 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.253 -0.647 . . . . 1.3 109.253 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.25 -21.27 66.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.89 1.07 . . . . 1.86 113.89 -169.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 p -67.69 -18.28 64.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.37 111.012 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -97.56 8.97 43.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.203 -0.453 . . . . 1.05 110.332 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.457 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.6 mm -104.45 138.47 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 116.058 -0.519 . . . . 1.07 110.139 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -98.94 -45.64 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.002 0.43 . . . . 0.7 110.834 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HB3' HG13 ' A' ' 63' ' ' ILE . 6.1 mmtt -133.78 175.34 9.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.403 0.621 . . . . 2.16 110.547 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 134.39 21.79 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.077 -0.965 . . . . 1.98 109.36 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 51.7 mt-30 -123.78 139.82 53.6 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.85 -0.614 . . . . 2.28 110.453 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.48 ' HB1' ' HE2' ' A' ' 101' ' ' LYS . . . -138.98 154.41 48.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.449 -0.341 . . . . 1.17 110.463 -177.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 p -72.0 134.03 83.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 1.15 111.743 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.15 153.98 48.88 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.271 2.647 . . . . 1.22 112.315 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.583 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -70.02 -15.48 63.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.775 -0.648 . . . . 1.98 111.83 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 p -79.75 -9.29 59.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.51 . . . . 1.7 111.055 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.3 t -112.35 134.51 53.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.402 -0.592 . . . . 1.49 109.402 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -43.97 96.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.073 -0.512 . . . . 2.37 111.43 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 15.4 ptpt -60.63 143.0 54.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 2.71 111.164 -170.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.462 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 23.2 mtm -118.67 112.98 20.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.698 . . . . 1.6 110.951 -171.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.404 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 4.4 tpp -140.91 142.28 34.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.593 -0.731 . . . . 1.26 111.214 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.93 143.57 50.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.695 -0.684 . . . . 1.23 109.427 168.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 60.4 mtt180 -119.98 146.05 46.21 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.639 -0.71 . . . . 2.99 110.965 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -109.65 107.51 17.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.452 -1.249 . . . . 1.45 108.083 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.606 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.8 mm -88.89 99.19 8.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 108.733 -0.84 . . . . 1.24 108.733 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.27 152.29 52.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.234 -0.984 . . . . 0.37 112.953 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -72.55 154.1 40.97 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.729 0.776 . . . . 1.67 112.022 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 11.4 m -118.54 138.08 50.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 114.27 -1.332 . . . . 2.1 110.676 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -92.04 78.26 5.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.009 0.909 . . . . 4.14 108.829 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -27.04 53.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.981 -1.008 . . . . 4.79 110.777 -173.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 p -83.67 -5.89 59.3 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.17 -0.923 . . . . 4.96 110.977 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -110.73 -21.09 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 7.36 111.025 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.74 159.32 30.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.561 0.696 . . . . 8.58 111.152 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -130.87 167.96 18.08 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.702 -1.135 . . . . 11.45 111.03 -171.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.418 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.87 150.76 32.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.861 -0.609 . . . . 9.28 110.745 176.512 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.572 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 5.8 t70 -94.72 -158.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.838 -0.619 . . . . 8.74 110.714 -174.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.413 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 7.8 p30 -55.25 -32.58 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.79 1.033 . . . . 11.84 113.79 -168.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HG2' ' OD1' ' A' ' 78' ' ' ASN . 11.4 pt-20 -109.28 21.33 17.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 11.2 111.069 -174.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.18 29.63 75.3 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.022 -0.831 . . . . 8.99 111.022 -174.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.572 ' OD1' ' HB3' ' A' ' 74' ' ' ASP . 12.3 m120 -40.01 -46.98 2.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.158 -1.021 . . . . 9.0 112.841 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' CG ' ' HB3' ' A' ' 73' ' ' LYS . 48.0 mt-10 55.73 72.35 0.49 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.216 0.531 . . . . 8.38 109.735 -174.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.54 136.46 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.877 -0.601 . . . . 5.78 111.392 -172.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.43 125.65 59.12 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 109.084 -0.71 . . . . 4.58 109.084 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.465 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 36.9 Cg_endo -66.91 131.58 25.95 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.365 2.043 . . . . 3.42 112.908 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 99.6 mttt -87.27 127.22 59.81 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.417 -0.81 . . . . 4.83 109.807 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 65.0 Cg_exo -54.33 131.63 46.23 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.75 2.967 . . . . 1.13 112.618 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.51 115.68 20.93 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.841 -0.618 . . . . 2.53 109.426 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 86' ' ' ARG . 49.8 mtt85 -97.36 150.36 21.07 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.846 0.831 . . . . 2.89 112.205 -175.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.585 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 55.7 m-70 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 113.985 -1.461 . . . . 0.71 108.15 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.477 ' HE3' ' HB3' ' B' ' 27' ' ' PHE . 26.8 ttm -116.39 130.08 56.58 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.211 -0.595 . . . . 1.33 111.349 -175.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -125.22 138.75 54.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 1.18 110.143 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 5.2 t -110.65 134.23 52.62 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.42 -0.355 . . . . 1.5 110.963 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.811 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 53.1 m-85 -113.84 177.28 4.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.168 0.509 . . . . 0.4 109.802 173.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -134.72 21.65 3.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.52 -0.764 . . . . 1.58 110.278 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -140.46 125.01 17.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.753 -0.832 . . . . 1.62 108.753 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.583 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 10.6 tpt180 -70.61 -39.32 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 4.27 111.469 -168.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.5 m -61.51 -46.5 89.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.335 -0.393 . . . . 1.1 110.234 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.2 t -47.73 -60.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 1.07 111.55 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.687 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptm -58.83 -48.71 80.37 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.359 -0.536 . . . . 1.36 111.538 -174.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.687 ' N ' ' HG3' ' A' ' 97' ' ' MET . 35.3 t70 -59.18 -36.65 75.71 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.837 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.28 -49.17 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 1.55 110.321 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 96' ' ' VAL . 46.2 mm -54.94 -44.29 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.255 0.55 . . . . 1.07 109.61 172.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 97' ' ' MET . 19.5 ttmt -47.34 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.527 -1.215 . . . . 1.55 110.34 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -58.49 -47.65 83.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.505 -1.225 . . . . 1.92 111.76 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 3' ' ' HIS . 99.4 m -49.75 -50.97 42.36 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.531 0.52 . . . . 1.07 110.948 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.55 -55.75 9.27 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.804 -0.634 . . . . 1.69 111.035 -178.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -50.49 -46.98 57.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.635 -1.166 . . . . 2.1 111.86 -176.45 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 82.7 mm-40 -68.92 -42.54 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 2.91 111.777 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.559 HG23 ' HB2' ' A' ' 25' ' ' ALA . 73.1 mt -62.98 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.735 -0.386 . . . . 1.16 110.038 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.16 -47.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 1.14 110.148 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.1 t -63.07 -31.69 72.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.644 -0.707 . . . . 1.9 110.986 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.6 mtt180 -63.3 -37.35 86.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.929 0.395 . . . . 3.42 110.725 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.8 m-85 -85.59 -15.63 41.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 3.1 110.02 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -76.35 -45.48 31.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.626 -0.715 . . . . 2.18 110.881 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.79 -39.54 56.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.285 0.564 . . . . 1.6 110.18 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.32 24.08 4.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 114.357 -1.292 . . . . 1.53 113.193 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.499 -0.762 . . . . 2.23 110.587 -178.393 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.565 0.221 . . . . 3.79 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.4 p -68.41 -53.22 25.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.534 -0.303 . . . . 3.18 111.626 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -66.08 -27.68 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.284 0.564 . . . . 4.1 110.331 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.52 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 20.5 m-20 -72.1 -28.28 63.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.503 -0.771 . . . . 2.67 110.22 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.74 -39.3 93.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.545 . . . . 2.16 109.716 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.782 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 61.6 m-85 -65.55 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.745 -0.661 . . . . 2.44 112.246 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -78.79 -26.63 44.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.267 -0.573 . . . . 2.97 110.833 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -86.94 -45.48 10.77 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.828 -0.349 . . . . 3.28 111.781 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.782 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 12.5 p-90 -65.53 -30.7 71.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.365 -0.534 . . . . 1.24 110.154 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 2.2 t-105 -61.18 -46.1 91.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.229 0.537 . . . . 1.02 109.676 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -73.64 -41.46 62.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.535 -0.757 . . . . 3.92 110.934 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.455 ' OG ' ' HA ' ' B' ' 30' ' ' TRP . 29.1 p -67.73 -34.61 77.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.786 0.327 . . . . 2.15 110.925 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.52 -45.45 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.971 0.415 . . . . 2.41 110.007 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.28 -35.02 78.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.8 -0.636 . . . . 3.14 111.583 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.19 -31.59 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.476 -0.329 . . . . 2.58 111.427 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.41 -30.13 61.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.033 -0.53 . . . . 4.0 110.773 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -83.0 -51.74 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 3.22 110.587 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.17 82.57 0.17 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.734 0.647 . . . . 4.79 110.485 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.202 0 CA-C-O 118.628 -1.096 . . . . 6.18 111.457 178.036 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.478 0.578 0 N-CA-C 110.547 -0.597 . . . . 4.35 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -175.4 171.58 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.55 -0.537 . . . . 1.99 109.55 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.493 ' HA ' HG22 ' A' ' 103' ' ' THR . 71.0 m80 70.92 -23.57 0.17 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 113.652 0.982 . . . . 1.21 113.652 173.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.588 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 10.7 p -148.92 160.14 43.54 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.051 0.76 . . . . 0.91 113.051 -174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.49 153.44 9.66 Favored Glycine 0 N--CA 1.441 -1.012 0 CA-C-N 114.0 -1.454 . . . . 0.17 110.27 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.38 115.0 6.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.289 0.566 . . . . 1.07 111.95 -173.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.787 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -123.97 175.5 6.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 1.05 110.181 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.2 138.71 52.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.306 . . . . 1.08 110.175 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.619 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.9 t80 -148.83 127.13 12.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.198 -0.667 . . . . 0.45 109.198 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.619 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.0 mt-10 67.49 40.7 2.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.219 0.533 . . . . 1.33 110.91 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.79 -7.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.727 -1.124 . . . . 2.85 113.407 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' H ' ' C ' ' A' ' 10' ' ' GLU . 2.5 p -98.91 146.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 1.04 109.599 175.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.622 ' HA ' HG13 ' A' ' 8' ' ' ILE . 25.3 t -97.24 156.82 16.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.399 -0.818 . . . . 1.8 111.691 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.47 -145.07 5.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 114.74 -1.118 . . . . 0.22 111.475 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.26 145.16 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.952 -0.388 . . . . 1.05 109.952 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.1 132.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.243 -1.392 . . . . 1.06 107.243 170.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.52 111.16 6.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.811 0.339 . . . . 1.0 111.709 -171.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.59 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.1 mp -89.99 124.25 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.367 0.603 . . . . 1.03 110.581 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -106.89 125.98 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.86 -1.064 . . . . 1.36 110.626 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -124.22 73.52 1.24 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.818 -0.753 . . . . 1.47 108.992 168.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -112.73 -22.69 10.59 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 122.984 1.374 . . . . 3.67 108.436 162.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 -170.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 112.104 -2.316 . . . . 1.47 111.871 -160.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 27.4 p -74.22 170.62 14.01 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 105.773 -1.936 . . . . 1.72 105.773 173.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.554 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -33.73 126.49 0.16 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.715 2.277 . . . . 0.69 113.848 -145.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB2' HG23 ' A' ' 107' ' ' ILE . . . -40.67 133.16 2.07 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.864 -1.516 . . . . 1.1 112.105 -166.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.92 149.22 39.06 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-O 121.339 0.59 . . . . 0.69 110.361 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 16' ' ' ILE . 1.2 tt -103.1 129.38 49.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.12 -0.945 . . . . 1.22 108.886 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -122.0 107.41 12.2 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 116.199 -0.455 . . . . 1.06 111.019 -171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.527 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 83.1 t90 -91.85 124.49 36.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.818 -0.753 . . . . 0.22 108.979 172.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.727 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.8 OUTLIER -128.45 133.95 48.64 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.602 -0.726 . . . . 2.49 109.776 176.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.434 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 94.5 p -62.2 164.05 7.45 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.557 0.536 . . . . 0.97 110.966 -175.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -57.31 -32.66 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.982 0.42 . . . . 1.28 111.119 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.52 -30.52 70.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 2.57 110.584 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.69 2.1 58.66 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.783 -0.644 . . . . 1.41 112.53 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -86.87 -55.86 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.717 0.294 . . . . 2.64 111.766 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.727 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 18.4 tttt -72.38 118.63 15.52 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.621 -0.511 . . . . 1.81 109.621 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG21 ' HB3' ' A' ' 30' ' ' ARG . 4.5 t -132.16 132.55 60.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.771 -0.649 . . . . 1.53 109.439 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.614 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.9 m-70 -132.53 121.17 22.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.736 -0.838 . . . . 0.38 108.736 177.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 119.37 38.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.576 0.703 . . . . 1.03 112.14 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 HD12 ' A' ' 45' ' ' ILE . 29.6 t -106.59 102.16 13.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.693 -1.139 . . . . 1.09 110.714 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.92 118.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 1.3 109.413 175.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 25' ' ' ALA . 81.9 mt -64.64 -14.32 57.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.717 -1.129 . . . . 1.86 113.137 -169.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.554 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 23.1 t -66.13 -23.42 66.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.945 0.402 . . . . 1.37 110.95 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -93.01 -3.42 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.691 . . . . 1.05 110.042 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.502 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.4 mm -94.74 136.87 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.966 -1.015 . . . . 1.07 110.186 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -92.66 -50.06 5.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.926 -0.398 . . . . 0.7 109.926 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.534 ' HB3' HG13 ' A' ' 63' ' ' ILE . 47.4 tptt -134.32 167.78 20.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.426 0.631 . . . . 2.16 110.593 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.499 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -143.26 152.61 41.9 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.439 -0.948 . . . . 1.98 108.439 166.574 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -155.67 148.8 24.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.739 -0.664 . . . . 2.28 110.277 -170.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.602 ' HB3' ' CE ' ' A' ' 97' ' ' MET . . . -111.9 167.57 10.27 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.475 -0.33 . . . . 1.17 110.322 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.4 p -59.44 151.13 61.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 1.15 111.53 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HG2' ' OG ' ' A' ' 55' ' ' SER . 7.9 Cg_endo -53.84 148.27 38.11 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.565 . . . . 1.22 111.907 174.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.33 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.624 . . . . 1.98 111.681 -175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 p -78.12 -20.95 51.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.25 -0.432 . . . . 1.7 111.045 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.52 ' OG ' ' HG2' ' A' ' 52' ' ' PRO . 50.6 m -83.36 150.48 26.07 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.991 -0.55 . . . . 1.49 111.453 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 37.7 tt0 -88.98 -37.4 15.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.495 -0.775 . . . . 2.37 110.924 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -67.26 138.97 57.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.31 0.576 . . . . 2.71 111.035 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.606 ' HB3' ' SD ' ' A' ' 97' ' ' MET . 1.3 mpt? -103.04 124.67 48.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.621 -0.718 . . . . 1.6 110.711 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.45 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -153.39 139.76 18.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.733 -0.667 . . . . 1.26 111.289 -176.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -112.75 142.44 45.38 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.466 -0.568 . . . . 1.23 109.466 168.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.524 ' HG3' ' CH2' ' B' ' 31' ' ' TRP . 65.4 mtm180 -105.34 144.55 31.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.74 -0.664 . . . . 2.99 111.492 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -113.12 103.66 11.58 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.715 -1.13 . . . . 1.45 109.138 170.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.98 100.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 110.133 -0.321 . . . . 1.24 110.133 -175.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.62 150.67 45.21 Favored Glycine 0 C--N 1.319 -0.388 0 C-N-CA 120.206 -0.997 . . . . 0.37 111.955 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -65.39 157.97 27.87 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.98 0.895 . . . . 1.67 111.87 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.486 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 27.3 m -118.9 135.83 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 CA-C-N 114.27 -1.332 . . . . 2.1 110.616 175.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -103.19 111.21 23.47 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.693 -0.855 . . . . 4.14 108.693 170.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -25.61 64.02 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.382 -0.372 . . . . 4.79 111.868 -173.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 p -91.94 -40.03 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.683 0.623 . . . . 4.96 112.683 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -88.26 -30.49 19.62 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.07 0.396 . . . . 7.36 112.07 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -72.98 160.76 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.476 0.655 . . . . 8.58 112.069 -171.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -56.65 147.55 22.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.258 -1.337 . . . . 11.45 112.891 -173.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -83.96 170.27 14.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.531 -1.213 . . . . 9.28 110.847 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 21.9 t70 -61.36 170.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.28 -0.873 . . . . 8.74 110.395 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -60.6 -26.27 66.86 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.643 0.656 . . . . 11.84 111.42 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.76 13.49 24.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 11.2 110.831 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.88 41.42 82.58 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.949 -0.569 . . . . 8.99 112.903 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 62.2 m-80 -89.1 131.59 35.18 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.846 -0.798 . . . . 9.0 108.846 175.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.57 70.38 0.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.071 0.939 . . . . 8.38 110.67 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -90.25 149.7 3.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.679 -1.146 . . . . 5.78 111.057 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.15 115.9 60.37 Favored Pre-proline 0 N--CA 1.442 -0.864 0 N-CA-C 108.317 -0.994 . . . . 4.58 108.317 168.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.83 144.59 24.61 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.688 2.259 . . . . 3.42 113.005 -168.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 68.1 mttm -61.82 128.38 90.37 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.72 -0.673 . . . . 4.83 109.463 174.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.486 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 45.1 Cg_exo -58.54 126.48 21.46 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.261 2.64 . . . . 1.13 112.421 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -76.78 118.38 19.34 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.683 -0.69 . . . . 2.53 109.485 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.558 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 4.0 ptt-85 -117.25 157.02 26.75 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.228 -0.896 . . . . 2.89 111.07 -172.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 70.8 m-70 -118.1 134.14 55.26 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.419 -0.956 . . . . 0.71 108.419 -176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.48 ' HG2' ' HG2' ' A' ' 61' ' ' ARG . 54.1 mtt -117.44 124.23 48.32 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.626 -0.429 . . . . 1.33 111.434 -176.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.16 132.59 55.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 1.18 109.592 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 7.6 t -99.75 132.82 44.85 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 120.932 0.396 . . . . 1.5 111.582 -174.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.787 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 73.9 m-85 -112.74 179.5 3.96 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.799 -0.815 . . . . 0.4 108.799 172.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.6 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 5.6 p30 -131.52 31.28 4.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.256 0.55 . . . . 1.58 110.464 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -157.06 124.98 5.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.243 -0.651 . . . . 1.62 109.243 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.441 ' NH2' ' HG3' ' A' ' 56' ' ' GLU . 6.4 mpt_? -68.42 -31.49 70.86 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.292 -0.413 . . . . 4.27 110.649 -176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.6 m -59.45 -53.11 61.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.066 -0.516 . . . . 1.1 110.083 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.07 -48.95 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.756 -0.656 . . . . 1.07 110.734 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.606 ' SD ' ' HB3' ' A' ' 58' ' ' MET . 31.3 mtp -50.28 -48.42 54.99 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.36 111.953 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.577 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 24.1 t70 -69.07 -37.3 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.67 110.905 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -53.76 50.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.369 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.787 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.8 mm -62.09 -40.29 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 1.07 109.989 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 31.0 mtmt -51.72 -63.69 1.05 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.042 0.448 . . . . 1.55 110.405 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.7 ttp -55.36 -47.94 75.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.934 -1.03 . . . . 1.92 112.212 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.493 HG22 ' HA ' ' A' ' 3' ' ' HIS . 90.5 m -52.81 -55.95 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 1.07 111.111 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.787 HD12 ' O ' ' A' ' 100' ' ' ILE . 1.8 mp -69.14 -48.63 61.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.713 -0.676 . . . . 1.69 109.215 -174.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 16.3 tm0? -48.75 -54.39 15.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.871 -1.058 . . . . 2.1 111.915 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.556 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.1 mm100 -65.74 -47.38 75.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.155 0.428 . . . . 2.91 112.155 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' ' 25' ' ' ALA . 49.0 mt -62.7 -43.56 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 1.16 110.27 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.567 HG22 ' NZ ' ' A' ' 112' ' ' LYS . 36.2 mt -57.66 -47.79 84.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 1.14 110.597 175.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.535 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 51.0 m -66.35 -25.66 66.92 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.928 -0.578 . . . . 1.9 111.571 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.4 mtt180 -60.8 -34.0 73.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.118 0.485 . . . . 3.42 110.037 172.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -88.46 -16.83 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 3.1 110.542 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.567 ' NZ ' HG22 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -73.13 -50.54 22.13 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.37 0.605 . . . . 2.18 109.563 172.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.93 -34.05 72.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.162 -0.926 . . . . 1.6 109.454 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.36 19.99 10.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.146 -1.388 . . . . 1.53 111.481 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.135 -0.936 . . . . 2.23 109.843 179.763 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 111.626 0.232 . . . . 3.79 111.626 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 p -68.99 -54.88 12.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 3.18 111.826 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.91 -26.62 65.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.156 0.503 . . . . 4.1 109.863 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.534 ' O ' ' HG2' ' B' ' 29' ' ' LYS . 8.1 m-20 -69.35 -36.55 76.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.701 -0.681 . . . . 2.67 109.555 175.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.527 ' HA ' ' CG ' ' B' ' 29' ' ' LYS . 32.7 t70 -64.33 -35.92 82.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.16 109.9 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.49 -13.48 41.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.424 -0.807 . . . . 2.44 110.83 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.7 -41.02 7.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.391 -0.368 . . . . 2.97 111.137 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 9.6 ptmm? -84.0 -21.95 31.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.087 0.773 . . . . 3.28 113.087 -172.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 20.8 p-90 -58.81 -36.42 74.45 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.692 -0.484 . . . . 1.24 109.692 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.524 ' CH2' ' HG3' ' A' ' 61' ' ' ARG . 1.1 t-105 -59.79 -44.31 94.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.395 -0.821 . . . . 1.02 110.162 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' B' ' 32' ' ' ARG . 3.5 mmp_? -66.19 -40.86 90.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.135 -0.939 . . . . 3.92 110.737 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -66.72 -41.54 87.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 2.15 110.55 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.45 -44.09 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 2.41 110.838 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE1' ' HA ' ' B' ' 35' ' ' GLU . 5.2 mm-40 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.32 -0.4 . . . . 3.14 111.458 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.67 63.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 2.58 111.101 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -68.51 -36.54 79.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.874 -0.603 . . . . 4.0 109.937 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.74 -45.18 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 3.22 109.849 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.6 tpt -94.21 89.32 5.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.738 . . . . 4.79 109.782 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.856 -0.969 . . . . 6.18 111.511 -178.809 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.478 0.587 0 N-CA-C 110.516 -0.609 . . . . 4.35 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -96.39 -51.9 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 1.99 110.587 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -85.32 -16.67 39.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.111 -0.495 . . . . 1.21 111.625 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.8 p -143.87 163.18 34.12 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.652 0.739 . . . . 0.91 112.81 -174.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.73 150.59 8.11 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.128 -1.396 . . . . 0.17 110.223 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.76 123.28 19.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.359 0.599 . . . . 1.07 111.592 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.66 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -133.68 174.05 10.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.918 -1.037 . . . . 1.05 110.164 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.629 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.47 138.85 52.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.464 0.306 . . . . 1.08 110.312 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.575 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 37.8 t80 -147.5 133.63 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.99 -0.744 . . . . 0.45 108.99 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 43.3 mt-10 61.83 37.94 15.08 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.289 0.566 . . . . 1.33 111.187 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.35 0.14 1.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.701 -1.136 . . . . 2.85 113.08 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -105.34 147.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.48 -0.563 . . . . 1.04 109.48 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.629 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t -96.5 155.25 16.85 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.612 -0.722 . . . . 1.8 111.763 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -174.55 -150.3 7.65 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.006 -0.997 . . . . 0.22 111.589 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.01 145.83 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 1.05 109.821 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.6 133.82 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.315 -1.365 . . . . 1.06 107.315 172.392 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.95 107.72 5.37 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -85.51 125.1 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.305 -0.628 . . . . 1.03 109.305 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -117.57 122.11 42.76 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.587 -0.733 . . . . 1.36 111.225 -172.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -118.96 71.61 0.86 Allowed 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 108.037 -1.097 . . . . 1.47 108.037 169.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -112.64 -23.17 10.37 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.221 1.486 . . . . 3.67 108.482 165.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.49 -168.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 111.759 -2.473 . . . . 1.47 111.62 -161.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 m -72.52 170.49 12.89 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 105.596 -2.002 . . . . 1.72 105.596 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -34.31 126.76 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.77 2.313 . . . . 0.69 113.596 -148.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG23 ' A' ' 107' ' ' ILE . . . -39.06 134.89 0.99 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 113.817 -1.538 . . . . 1.1 112.484 -166.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.77 151.24 41.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.084 0.469 . . . . 0.69 110.354 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -103.09 128.71 49.88 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.537 -0.912 . . . . 1.22 108.537 177.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -121.99 107.81 12.67 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 116.104 -0.498 . . . . 1.06 110.895 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 78.9 t90 -90.18 128.26 36.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.97 -0.752 . . . . 0.22 108.97 173.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.647 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 2.6 ptt85 -132.52 126.63 33.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.116 -0.493 . . . . 2.49 110.738 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -59.03 151.37 22.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 0.97 110.339 -177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.5 p -56.9 -23.71 46.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.464 -0.789 . . . . 1.28 112.41 -170.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.53 -28.59 59.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.082 0.467 . . . . 2.57 110.836 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.28 16.2 33.11 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.998 -0.546 . . . . 1.41 112.186 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.69 -55.37 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 2.64 111.686 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.6 tttp -90.16 120.35 31.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.445 0.64 . . . . 1.81 110.95 -171.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.553 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.2 t -131.12 132.61 63.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.698 -1.137 . . . . 1.53 109.759 -175.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 8.6 m-70 -132.7 123.4 26.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.765 -0.828 . . . . 0.38 108.765 176.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.74 128.46 55.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.373 0.606 . . . . 1.03 111.627 -172.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -116.37 101.25 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 1.09 110.588 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -71.41 120.9 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.174 -0.676 . . . . 1.3 109.174 175.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 25' ' ' ALA . 81.9 mt -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.059 -0.973 . . . . 1.86 113.477 -165.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -67.3 -10.52 51.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.693 0.282 . . . . 1.37 111.649 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -96.03 -7.01 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.708 0.289 . . . . 1.05 110.628 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.512 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.5 mm -100.26 142.25 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-O 121.213 0.53 . . . . 1.07 111.479 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 13.4 t70 -106.03 -48.77 3.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.274 -0.875 . . . . 0.7 111.08 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.512 ' HB3' HG13 ' A' ' 63' ' ' ILE . 43.1 tptt -134.32 173.77 11.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.529 0.681 . . . . 2.16 110.703 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.553 HD12 ' HG2' ' A' ' 105' ' ' GLN . 4.4 mp -129.29 157.69 41.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.084 -0.962 . . . . 1.98 109.751 171.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.578 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -130.68 138.28 49.97 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.12 -0.946 . . . . 2.28 108.695 173.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.697 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -142.68 134.61 27.05 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.299 -0.409 . . . . 1.17 110.031 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 p -68.52 146.99 98.06 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.574 -0.739 . . . . 1.15 111.819 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.09 136.23 63.82 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 123.219 2.613 . . . . 1.22 111.995 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -18.0 63.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 1.98 111.261 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 p -73.62 -8.03 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.928 -0.578 . . . . 1.7 110.849 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 t -106.34 149.58 26.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.946 -0.761 . . . . 1.49 108.946 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 39.4 tt0 -78.79 -19.89 51.11 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.886 0.374 . . . . 2.37 110.703 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.14 111.22 12.51 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.669 -0.412 . . . . 2.71 111.616 -173.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.493 ' HB2' ' O ' ' A' ' 91' ' ' PHE . 3.1 mpp? -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.173 -0.467 . . . . 1.6 110.383 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.405 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 7.0 tpp -152.19 134.26 14.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 1.26 111.873 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.449 ' CD2' ' HE1' ' A' ' 97' ' ' MET . 0.5 OUTLIER -115.96 146.91 41.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 1.23 109.419 171.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.578 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . 60.4 mtt180 -120.89 147.84 44.86 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.119 0.485 . . . . 2.99 110.091 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 2.7 mm? -111.98 102.25 10.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.149 -0.932 . . . . 1.45 108.531 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.3 mm -87.54 100.42 10.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 120.651 -0.42 . . . . 1.24 110.579 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.512 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -65.81 152.26 51.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.425 -0.893 . . . . 0.37 112.452 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.52 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 21.3 mtpt -69.03 147.46 51.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.077 0.465 . . . . 1.67 110.255 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -113.56 148.77 16.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.699 -0.682 . . . . 2.1 109.712 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.421 ' HB3' ' HD3' ' A' ' 70' ' ' LYS . 10.1 m-20 -102.72 80.14 1.87 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.783 -0.644 . . . . 4.14 110.258 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -26.95 50.53 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.422 -0.808 . . . . 4.79 109.822 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 p -65.62 -34.09 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.319 -0.855 . . . . 4.96 110.821 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HD3' ' HB3' ' A' ' 67' ' ' ASP . 7.6 mptt -86.8 -27.84 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 7.36 110.587 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.01 143.91 55.36 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.679 0.752 . . . . 8.58 111.286 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -76.91 164.16 26.05 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.464 -1.244 . . . . 11.45 110.536 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.646 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 95.4 mttt -101.14 171.19 7.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.317 -0.856 . . . . 9.28 110.772 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.24 -174.04 4.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.895 -0.593 . . . . 8.74 110.037 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -72.68 -25.06 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.436 . . . . 11.84 110.53 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' HB2' ' ND2' ' A' ' 78' ' ' ASN . 24.5 mt-10 -95.23 -3.1 48.23 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.755 -0.831 . . . . 11.2 108.755 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.646 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 101.18 -60.52 0.61 Allowed Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 109.039 -1.624 . . . . 8.99 109.039 -169.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' ND2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER 54.35 -45.07 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.906 1.447 . . . . 9.0 114.906 -178.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.02 67.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.558 0.694 . . . . 8.38 109.218 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.8 m -77.04 141.99 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 114.963 -1.017 . . . . 5.78 110.733 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.78 119.98 68.21 Favored Pre-proline 0 N--CA 1.441 -0.919 0 N-CA-C 109.269 -0.641 . . . . 4.58 109.269 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -77.11 134.98 14.91 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.613 2.209 . . . . 3.42 111.71 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.3 mmmt -68.17 118.71 61.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 4.83 110.617 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 42.4 Cg_exo -61.35 139.72 84.22 Favored 'Trans proline' 0 C--N 1.331 -0.377 0 C-N-CA 123.922 3.082 . . . . 1.13 112.97 -176.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -89.42 115.63 27.01 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.741 -0.837 . . . . 2.53 108.741 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.3 ptt180 -123.02 154.6 38.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.902 -0.59 . . . . 2.89 111.228 -170.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 87.2 m-70 -102.4 156.09 17.82 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.932 -0.766 . . . . 0.71 108.932 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.9 ttm -131.0 131.51 44.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.655 -0.418 . . . . 1.33 110.95 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.52 141.15 49.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 1.18 110.364 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.9 t -109.44 133.06 53.54 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 110.433 -0.21 . . . . 1.5 110.433 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.66 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 58.5 m-85 -112.42 178.36 4.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.4 109.578 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.22 7.46 12.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.983 -0.553 . . . . 1.58 111.519 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.29 138.72 33.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.624 0.249 . . . . 1.62 110.886 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.447 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 3.3 mpt_? -67.4 -38.86 85.3 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.037 -0.528 . . . . 4.27 110.676 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 m -60.5 -50.02 75.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.055 -0.521 . . . . 1.1 110.657 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.99 -53.03 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.061 -0.518 . . . . 1.07 110.731 173.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 25.9 mtp -46.83 -58.47 3.88 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 112.155 0.428 . . . . 1.36 112.155 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.0 t70 -67.04 -36.95 83.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.408 -0.36 . . . . 0.67 111.368 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -66.95 -53.24 33.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.462 -0.335 . . . . 1.55 110.581 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.3 mm -59.08 -41.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 1.07 109.945 177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.697 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 39.4 mtmt -50.53 -61.6 2.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.071 0.462 . . . . 1.55 110.787 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -60.47 -47.42 86.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 1.92 111.736 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 107' ' ' ILE . 94.7 m -52.85 -52.6 56.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.299 -0.41 . . . . 1.07 110.7 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' HD21 ' A' ' 48' ' ' LEU . 63.5 mt -60.88 -59.72 4.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.75 -0.659 . . . . 1.69 111.275 177.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.553 ' HG2' HD12 ' A' ' 48' ' ' LEU . 11.1 tm0? -53.14 -45.9 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.834 -1.075 . . . . 2.1 112.743 -172.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.8 mm100 -66.94 -42.66 84.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.82 0.304 . . . . 2.91 111.82 -177.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 25' ' ' ALA . 52.1 mt -66.58 -41.0 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.67 -0.493 . . . . 1.16 109.67 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.457 HD12 HD11 ' A' ' 48' ' ' LEU . 31.0 mt -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.711 -0.677 . . . . 1.14 110.209 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 m -61.57 -29.48 70.05 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.752 -0.658 . . . . 1.9 111.365 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 98.6 mtt180 -68.37 -28.41 67.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.707 0.289 . . . . 3.42 111.308 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.461 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.2 m-85 -93.9 -16.06 24.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.66 0.743 . . . . 3.1 109.673 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -77.56 -54.65 6.15 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.588 -1.187 . . . . 2.18 109.9 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.92 -24.57 55.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.163 -0.926 . . . . 1.6 108.571 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.82 21.44 5.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 113.716 -1.584 . . . . 1.53 111.654 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.604 -0.725 . . . . 2.23 109.675 175.643 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.599 0.238 . . . . 3.79 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -69.41 -15.96 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.395 0.517 . . . . 3.18 112.395 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' CD2' ' B' ' 27' ' ' PHE . 9.7 tt0 -62.63 -27.5 69.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 4.1 109.628 174.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.55 -28.52 41.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.186 -0.916 . . . . 2.67 109.66 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.504 ' HA ' ' HD3' ' B' ' 29' ' ' LYS . 1.7 m-20 -74.18 -12.58 60.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.312 -0.858 . . . . 2.16 111.776 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.61 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 21.6 m-85 -65.76 -14.17 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 2.44 111.184 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.76 -42.73 11.13 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.226 0.536 . . . . 2.97 109.668 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' B' ' 26' ' ' ASP . 46.8 mtpt -64.62 -49.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.303 -0.862 . . . . 3.28 111.977 -175.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.61 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 4.0 p-90 -71.21 -28.36 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.147 0.498 . . . . 1.24 110.764 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.405 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 1.5 t-105 -79.05 -48.61 14.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 1.02 110.68 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -82.38 -10.56 59.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.73 -0.668 . . . . 3.92 110.99 -173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.9 t -70.91 -49.42 46.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.695 -0.483 . . . . 2.15 109.695 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.44 -26.11 46.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 2.41 111.388 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.33 -27.32 65.27 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.716 -0.393 . . . . 3.14 110.326 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.08 -14.36 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 2.58 110.78 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -86.38 -42.47 13.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.23 -0.441 . . . . 4.0 110.0 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -76.91 -48.67 17.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.018 -0.537 . . . . 3.22 110.066 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.4 tpt 60.17 87.97 0.08 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.577 -0.738 . . . . 4.79 111.49 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.846 -0.975 . . . . 6.18 111.415 176.773 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo . . . . . 0 N--CA 1.481 0.752 0 N-CA-C 110.559 -0.593 . . . . 4.35 110.559 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 p -110.87 40.0 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.402 -0.363 . . . . 1.99 111.56 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -150.82 -13.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.435 -0.348 . . . . 1.21 111.667 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 23.0 p -147.92 165.79 29.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.847 0.832 . . . . 0.91 113.119 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.24 8.58 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 114.026 -1.443 . . . . 0.17 110.108 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.51 116.36 8.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.309 0.576 . . . . 1.07 111.867 -173.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.812 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -124.77 175.86 6.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.134 -0.939 . . . . 1.05 110.156 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.47 138.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.968 -0.382 . . . . 1.08 109.968 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.604 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.6 t80 -148.78 128.9 13.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.623 -0.51 . . . . 0.45 109.623 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.604 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.8 mt-10 64.13 41.86 5.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.482 0.658 . . . . 1.33 110.992 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.44 0.48 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.398 -1.274 . . . . 2.85 113.257 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.516 HG23 ' N ' ' A' ' 13' ' ' SER . 2.5 p -108.7 147.85 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.33 -0.618 . . . . 1.04 109.33 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.6 m -94.34 156.82 16.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.988 -0.551 . . . . 1.8 111.624 -177.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -174.22 -148.97 6.8 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.712 . . . . 0.22 111.776 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.58 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.53 145.29 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.751 -0.462 . . . . 1.05 109.751 174.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.34 134.56 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.442 -1.318 . . . . 1.06 107.442 172.035 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.62 110.37 6.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.825 0.345 . . . . 1.0 111.871 -171.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.621 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -90.17 128.13 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.177 0.513 . . . . 1.03 110.253 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -117.01 120.41 38.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.44 -0.8 . . . . 1.36 111.02 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -116.74 71.34 0.79 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 107.721 -1.214 . . . . 1.47 107.721 168.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -112.35 -20.42 11.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 123.269 1.509 . . . . 3.67 108.186 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 m -110.14 -169.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 111.782 -2.463 . . . . 1.47 111.685 -163.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 36.4 p -73.08 170.1 15.11 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 105.437 -2.06 . . . . 1.72 105.437 172.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 72.3 Cg_exo -33.22 126.55 0.13 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.789 2.326 . . . . 0.69 114.01 -147.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB3' HG22 ' A' ' 107' ' ' ILE . . . -34.21 129.27 0.38 Allowed 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 125.492 1.745 . . . . 1.1 112.47 -169.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.5 mt-10 -115.33 144.34 43.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.942 -0.703 . . . . 0.69 109.534 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD11 ' CD1' ' A' ' 16' ' ' ILE . 1.1 tt -103.41 127.4 50.79 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.212 -0.904 . . . . 1.22 108.784 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.5 m -119.05 108.03 14.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.792 -0.64 . . . . 1.06 110.83 -171.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.5 t90 -92.48 124.99 36.92 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.045 -0.724 . . . . 0.22 109.045 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.2 ptt-85 -127.21 128.5 46.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.86 -0.609 . . . . 2.49 110.556 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.6 p -59.69 151.89 23.92 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.596 -0.729 . . . . 0.97 109.929 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.5 p -57.77 -21.75 43.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.347 0.499 . . . . 1.28 112.347 -172.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.36 -28.77 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 2.57 110.659 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.25 3.11 55.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.137 -0.554 . . . . 1.41 112.434 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.33 -47.23 8.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.64 111.618 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.619 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.8 tttp -93.02 120.74 33.64 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.26 0.553 . . . . 1.81 110.994 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' A' ' 30' ' ' ARG . 2.7 t -134.96 135.41 52.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 114.941 -1.027 . . . . 1.53 109.589 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -135.56 126.5 27.68 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.078 -0.712 . . . . 0.38 109.078 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -111.87 117.85 33.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.734 0.778 . . . . 1.03 111.609 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 39.8 t -103.27 102.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.65 -1.159 . . . . 1.09 110.431 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.25 110.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.708 0.766 . . . . 1.3 109.287 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.572 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -49.69 -31.76 11.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 115.166 1.543 . . . . 1.86 115.166 -172.383 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 m -63.36 -4.35 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 119.303 0.956 . . . . 1.37 112.365 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -101.76 -3.22 28.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.628 -0.508 . . . . 1.05 109.628 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.456 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 19.7 mm -91.99 146.27 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.564 -0.744 . . . . 1.07 109.939 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -103.48 -43.06 5.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.167 0.508 . . . . 0.7 110.354 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 21.1 tptm -143.94 171.35 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.849 -0.614 . . . . 2.16 109.964 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.584 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 1.5 pt? -132.31 149.15 52.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.688 -0.856 . . . . 1.98 108.688 166.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -135.29 139.15 44.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.637 -0.505 . . . . 2.28 109.637 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB2' ' HE3' ' A' ' 101' ' ' LYS . . . -122.41 150.05 42.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.439 -0.346 . . . . 1.17 110.087 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.14 140.38 78.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 112.512 0.56 . . . . 1.15 112.512 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.32 146.24 73.74 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.326 2.684 . . . . 1.22 111.64 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -19.13 63.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 1.98 112.432 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.8 p -76.61 -16.97 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.914 0.388 . . . . 1.7 110.805 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.469 ' HB2' ' HG2' ' B' ' 34' ' ' GLU . 22.7 t -90.19 143.1 27.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.223 0.535 . . . . 1.49 110.664 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 34.4 tt0 -89.47 -16.14 31.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.635 -0.711 . . . . 2.37 110.358 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.12 111.09 13.68 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.327 -0.549 . . . . 2.71 110.628 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.501 ' HG3' ' CG ' ' A' ' 97' ' ' MET . 3.3 mpp? -70.22 118.14 12.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.801 -0.636 . . . . 1.6 110.145 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.445 ' O ' ' HE2' ' A' ' 97' ' ' MET . 12.0 tpp -152.93 136.83 16.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 1.26 111.682 -173.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.4 mm? -121.44 146.03 47.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.319 -0.623 . . . . 1.23 109.319 169.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -116.78 142.47 46.87 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.31 0.576 . . . . 2.99 111.384 174.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.588 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -105.56 108.12 19.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.932 -1.136 . . . . 1.45 107.932 173.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 47' ' ' LYS . 1.9 mm -87.98 97.98 7.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.661 -0.866 . . . . 1.24 108.661 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -70.84 147.02 42.62 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 119.943 -1.122 . . . . 0.37 111.862 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -60.43 158.98 10.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.825 0.822 . . . . 1.67 112.218 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -104.32 109.27 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 114.589 -1.187 . . . . 2.1 109.318 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -82.07 145.84 29.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.505 -0.771 . . . . 4.14 109.605 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -60.78 -18.51 55.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 4.79 111.519 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -82.09 -21.29 36.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.122 0.487 . . . . 4.96 110.961 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -95.79 -7.53 36.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.863 -0.608 . . . . 7.36 110.293 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.2 tttt -51.94 152.64 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.774 . . . . 8.58 111.086 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HD3' ' HB3' ' A' ' 82' ' ' PRO . 48.4 mtp180 -132.24 168.38 18.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.722 0.772 . . . . 11.45 112.45 -172.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 9.6 mtmp? -132.74 147.3 52.32 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.985 -1.461 . . . . 9.28 109.597 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.15 178.94 8.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.62 -0.718 . . . . 8.74 109.739 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -57.88 -31.75 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 11.84 110.856 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -89.31 8.24 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.211 0.529 . . . . 11.2 111.043 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.45 79.56 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.69 -0.687 . . . . 8.99 113.476 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 1.6 m120 -72.56 118.78 15.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.236 -0.653 . . . . 9.0 109.236 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.88 69.25 0.69 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 114.797 -1.092 . . . . 8.38 111.039 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.9 m -76.36 139.85 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.938 -1.028 . . . . 5.78 110.178 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.17 123.83 89.96 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-N 116.204 -0.453 . . . . 4.58 109.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HB3' ' HD3' ' A' ' 72' ' ' ARG . 69.8 Cg_endo -74.0 148.73 40.64 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.594 2.196 . . . . 3.42 111.669 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 14.0 mptt -64.3 124.9 87.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 4.83 110.563 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.604 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 74.3 Cg_exo -54.34 141.41 71.66 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 124.154 3.236 . . . . 1.13 112.811 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.39 115.56 8.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.139 0.495 . . . . 2.53 109.882 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.514 ' CG ' HD13 ' A' ' 63' ' ' ILE . 17.2 mtm180 -102.67 134.93 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 112.918 0.71 . . . . 2.89 112.918 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.588 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 12.7 m-70 -102.71 119.55 39.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.101 -1.444 . . . . 0.71 107.101 173.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.456 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 34.1 ttm -110.05 128.38 55.39 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.237 -0.585 . . . . 1.33 110.904 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CE1' HD22 ' A' ' 62' ' ' LEU . 27.8 m-85 -124.69 137.5 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.18 110.122 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.537 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.0 t -105.11 134.3 48.45 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.582 -0.281 . . . . 1.5 110.86 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.812 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 90.6 m-85 -111.87 178.17 4.41 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.085 -0.709 . . . . 0.4 109.085 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -135.69 26.94 3.36 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.884 -0.598 . . . . 1.58 110.704 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.22 139.68 35.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.62 110.192 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.429 ' NH2' ' HG3' ' A' ' 56' ' ' GLU . 11.0 mmt180 -71.09 -37.45 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 4.27 110.869 -176.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.6 m -72.14 -47.23 52.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 1.1 111.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.9 t -47.08 -46.98 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.181 -0.463 . . . . 1.07 111.223 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.501 ' CG ' ' HG3' ' A' ' 58' ' ' MET . 65.8 mmm -44.24 -65.64 0.49 Allowed 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.432 0.458 . . . . 1.36 112.23 172.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.46 -35.43 72.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.522 0.514 . . . . 0.67 111.241 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -67.2 -59.41 3.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.433 -0.349 . . . . 1.55 110.749 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.7 mm -58.21 -41.52 81.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 116.42 -0.354 . . . . 1.07 110.114 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 48.9 mtpt -50.76 -64.33 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 1.55 110.613 175.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.401 ' O ' ' HG3' ' A' ' 106' ' ' GLN . 37.8 ttp -56.03 -50.97 69.43 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.872 -1.058 . . . . 1.92 112.27 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 m -49.95 -54.19 21.47 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.358 0.599 . . . . 1.07 111.337 -177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -67.41 -51.79 47.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.178 -0.919 . . . . 1.69 109.414 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -49.56 -46.76 49.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.024 -0.989 . . . . 2.1 112.27 -177.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 51.9 mt-30 -64.31 -44.7 90.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.351 0.13 . . . . 2.91 111.351 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 110' ' ' ARG . 40.4 mt -65.26 -42.76 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 1.16 110.16 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.781 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 62.8 mt -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.833 -0.622 . . . . 1.14 109.919 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 t -58.37 -31.32 67.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.369 -0.378 . . . . 1.9 110.253 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 92.7 mtt180 -62.28 -50.25 72.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.156 -0.474 . . . . 3.42 110.516 176.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.781 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 8.6 p90 -87.04 -3.78 59.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.355 -0.538 . . . . 3.1 111.915 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -75.7 -51.22 13.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.217 0.532 . . . . 2.18 109.935 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -73.58 -38.34 65.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.526 -0.761 . . . . 1.6 109.712 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.85 50.56 15.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.449 -0.796 . . . . 1.53 110.606 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.89 -1.05 . . . . 2.23 110.52 -178.092 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.405 0.145 . . . . 3.79 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 p -65.03 -51.61 60.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 3.18 111.406 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -66.46 -27.29 67.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.086 0.47 . . . . 4.1 110.462 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.543 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 6.0 m-20 -72.88 -49.51 29.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 2.67 110.677 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.29 -26.06 67.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.37 0.605 . . . . 2.16 109.885 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -73.24 -14.91 61.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 2.44 111.2 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.3 pp -108.92 -30.43 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.719 -0.392 . . . . 2.97 111.36 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -76.65 -25.8 54.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.425 0.528 . . . . 3.28 112.425 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -61.64 -24.66 66.87 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.156 0.503 . . . . 1.24 110.172 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.545 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.5 t-105 -69.67 -48.53 59.47 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.734 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -77.14 -26.96 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 3.92 110.09 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -59.04 -37.35 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 2.15 109.602 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.469 ' HG2' ' HB2' ' A' ' 55' ' ' SER . 10.5 tp10 -77.87 -42.78 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.594 -0.73 . . . . 2.41 110.792 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 46.7 mt-10 -65.48 -24.91 67.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.321 -0.399 . . . . 3.14 111.537 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.04 -20.63 61.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.629 -0.259 . . . . 2.58 111.301 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -65.37 -43.81 89.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 4.0 111.261 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -85.16 -10.74 56.35 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.765 0.317 . . . . 3.22 110.604 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mmt -74.9 -44.36 49.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 4.79 110.138 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 118.509 -1.162 . . . . 6.18 111.883 177.68 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.481 0.738 0 N-CA-C 110.731 -0.527 . . . . 4.35 110.731 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -79.87 75.57 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 1.99 110.79 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -150.37 -15.84 0.24 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.348 -0.387 . . . . 1.21 111.693 174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 37.4 p -146.06 171.38 14.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.489 0.662 . . . . 0.91 112.501 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.53 146.93 5.1 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 114.394 -1.275 . . . . 0.17 110.359 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.6 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.01 118.02 9.88 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.305 0.574 . . . . 1.07 111.477 -172.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.824 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.04 174.0 8.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.147 -0.933 . . . . 1.05 110.057 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.38 129.65 62.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.356 -0.384 . . . . 1.08 110.009 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.617 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 43.6 t80 -143.77 132.51 22.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.45 109.019 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.617 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 45.9 mt-10 66.48 29.6 9.05 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.601 0.715 . . . . 1.33 110.33 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 69.0 -0.4 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.177 -1.374 . . . . 2.85 112.95 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.421 ' CG1' ' HZ2' ' A' ' 36' ' ' LYS . 1.5 p -100.85 148.72 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.914 -0.773 . . . . 1.04 108.914 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.611 ' HA ' HG13 ' A' ' 8' ' ' ILE . 11.2 t -95.3 152.97 17.91 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.725 -0.67 . . . . 1.8 111.952 -175.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.39 -150.21 7.35 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.84 -1.073 . . . . 0.22 111.559 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.6 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.07 145.66 29.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.796 -0.446 . . . . 1.05 109.796 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.585 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.04 130.59 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 106.943 -1.503 . . . . 1.06 106.943 170.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.11 110.09 6.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 1.0 112.051 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.675 ' CD1' HD13 ' A' ' 104' ' ' LEU . 3.2 mp -91.12 123.41 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.204 0.526 . . . . 1.03 110.746 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -108.92 124.91 51.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.925 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -120.74 72.42 0.96 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 107.558 -1.275 . . . . 1.47 107.558 167.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.62 -24.35 9.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.126 1.441 . . . . 3.67 108.38 166.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.23 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 112.085 -2.325 . . . . 1.47 112.044 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.506 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 15.7 p -73.49 170.79 12.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 N-CA-C 105.684 -1.969 . . . . 1.72 105.684 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.7 Cg_exo -33.7 125.58 0.15 Allowed 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.53 2.153 . . . . 0.69 113.751 -145.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB1' HG23 ' A' ' 107' ' ' ILE . . . -38.88 132.03 1.29 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 113.651 -1.613 . . . . 1.1 112.499 -167.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 5.2 mt-10 -118.02 146.04 44.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.206 0.527 . . . . 0.69 109.965 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.457 HD12 HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -103.44 129.13 50.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.406 -0.815 . . . . 1.22 109.126 -178.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.2 m -118.27 107.03 13.4 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 120.586 -0.446 . . . . 1.06 110.952 -173.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -88.45 118.95 28.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.078 -1.082 . . . . 0.22 108.078 169.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' CB ' HG21 ' A' ' 37' ' ' VAL . 22.0 ptt180 -128.71 130.71 47.5 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.849 -0.614 . . . . 2.49 109.509 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.483 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.4 p -64.78 158.45 24.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.877 -0.602 . . . . 0.97 110.995 -171.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.2 p -55.84 -37.9 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 1.28 110.921 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.73 -29.14 69.04 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.911 -0.586 . . . . 2.57 111.438 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.89 -0.07 66.77 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.449 -0.661 . . . . 1.41 111.449 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.28 -40.73 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.124 0.487 . . . . 2.64 110.649 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HE2' ' OE1' ' A' ' 10' ' ' GLU . 14.0 mttt -95.29 130.25 42.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 1.81 110.901 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.556 HG21 ' CB ' ' A' ' 30' ' ' ARG . 3.7 t -144.06 123.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.532 -0.914 . . . . 1.53 108.532 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 28' ' ' THR . 12.4 m-70 -128.69 125.27 37.64 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.393 -0.595 . . . . 0.38 109.393 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.64 120.48 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.527 0.679 . . . . 1.03 112.109 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 t -104.61 101.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.869 -1.06 . . . . 1.09 110.543 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -73.54 119.26 20.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.632 0.73 . . . . 1.3 109.383 175.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.87 -13.89 62.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.024 1.12 . . . . 1.86 114.024 -165.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 p -70.97 -14.49 62.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.901 0.382 . . . . 1.37 111.1 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -92.94 -3.13 55.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.318 0.58 . . . . 1.05 109.789 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.567 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 21.1 mm -94.38 137.96 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.35 -0.841 . . . . 1.07 111.104 -177.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -103.72 -42.9 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.7 110.873 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HB3' HG13 ' A' ' 63' ' ' ILE . 7.4 mmtt -135.17 176.01 9.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.584 0.707 . . . . 2.16 111.277 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.77 141.33 27.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.899 -1.046 . . . . 1.98 108.559 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 37.2 mt-30 -135.48 149.32 49.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.666 0.27 . . . . 2.28 110.357 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.533 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -139.48 147.54 41.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.557 -0.535 . . . . 1.17 109.557 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -61.21 139.15 94.56 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.022 0.378 . . . . 1.15 112.022 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.33 150.26 59.8 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.364 2.709 . . . . 1.22 111.743 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -62.51 -25.57 68.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.679 -176.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 p -68.97 -31.84 70.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 1.7 110.732 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.4 m -86.68 123.09 31.46 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.875 -0.602 . . . . 1.49 110.29 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.93 -38.2 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 2.37 111.555 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -61.25 138.57 58.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.303 0.573 . . . . 2.71 111.54 -172.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -96.51 122.67 39.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.28 -0.873 . . . . 1.6 109.84 -174.794 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.7 tpp -149.37 138.41 21.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.736 0.303 . . . . 1.26 111.33 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 ' CG ' ' A' ' 101' ' ' LYS . 1.1 mm? -121.0 145.3 47.9 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.954 -0.566 . . . . 1.23 109.598 167.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.4 mtt180 -117.35 140.75 49.17 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.615 -0.72 . . . . 2.99 111.403 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.594 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -105.61 104.14 13.79 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.446 -1.252 . . . . 1.45 108.286 170.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 HG13 ' HB3' ' A' ' 47' ' ' LYS . 13.1 mm -87.26 99.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.112 -0.699 . . . . 1.24 109.112 -178.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.567 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.39 161.59 53.44 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.92 -0.872 . . . . 0.37 110.92 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -59.31 158.52 9.12 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.727 0.775 . . . . 1.67 110.083 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . 31.0 m -90.97 163.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.516 -1.22 . . . . 2.1 112.812 -161.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.64 148.72 48.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.538 -1.664 . . . . 4.14 110.48 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.7 -1.77 0.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.04 0.755 . . . . 4.79 113.04 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -64.62 1.74 0.78 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.943 0.401 . . . . 4.96 111.469 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -68.41 -11.46 59.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.548 0.689 . . . . 7.36 109.604 169.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.32 163.96 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.005 -0.998 . . . . 8.58 110.823 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 171.34 0.25 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.768 -0.651 . . . . 11.45 111.777 -176.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -64.7 154.09 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.639 0.733 . . . . 9.28 111.914 -173.316 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.53 177.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.669 -1.15 . . . . 8.74 110.564 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.32 -31.63 69.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.167 0.508 . . . . 11.84 109.968 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.07 -3.14 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.676 -0.693 . . . . 11.2 110.914 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.02 25.53 74.51 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.363 -0.835 . . . . 8.99 112.786 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.437 ' O ' HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -80.05 104.0 10.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 122.035 0.921 . . . . 9.0 109.423 173.07 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 2.6 tm-20 -68.77 73.65 0.26 Allowed 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 112.849 -1.978 . . . . 8.38 108.35 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 78' ' ' ASN . 14.0 m -75.9 137.94 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.989 -1.005 . . . . 5.78 110.843 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.53 130.58 55.56 Favored Pre-proline 0 N--CA 1.445 -0.714 0 CA-C-N 115.95 -0.568 . . . . 4.58 109.626 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.06 128.26 16.4 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.088 1.859 . . . . 3.42 111.803 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' HZ1' ' HB3' ' A' ' 83' ' ' LYS . 6.4 mtpm? -88.11 118.74 69.94 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-O 121.374 0.607 . . . . 4.83 110.463 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 16.7 Cg_exo -70.05 138.69 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.709 2.939 . . . . 1.13 111.465 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -88.39 114.11 24.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.382 -0.599 . . . . 2.53 109.382 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -118.17 148.28 42.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.772 0.796 . . . . 2.89 112.534 -171.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.2 m-70 -105.21 148.54 26.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.612 -1.176 . . . . 0.71 107.968 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.7 ttm -133.55 130.41 38.4 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.521 -0.471 . . . . 1.33 110.746 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE1' HD22 ' A' ' 62' ' ' LEU . 28.1 m-85 -126.8 136.14 51.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 1.18 110.604 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.493 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 46.9 m -103.18 126.7 50.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.788 -0.642 . . . . 1.5 111.884 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.824 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.5 m-85 -112.91 179.16 4.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.701 -0.481 . . . . 0.4 109.701 173.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.422 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 11.6 p30 -135.7 26.89 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.698 -0.683 . . . . 1.58 110.648 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.438 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -143.48 125.18 14.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.082 -0.71 . . . . 1.62 109.082 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.418 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 7.7 tpt180 -73.75 -30.59 62.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 4.27 111.009 -173.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.438 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 22.7 m -64.52 -47.92 77.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.435 -0.348 . . . . 1.1 110.17 175.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -51.44 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 115.9 -0.591 . . . . 1.07 110.353 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 13.3 mtp -45.62 -57.4 4.22 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.165 0.431 . . . . 1.36 112.165 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.614 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 29.6 t70 -63.35 -40.72 98.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.67 111.561 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -66.5 -54.58 22.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.493 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.798 ' O ' HD11 ' A' ' 104' ' ' LEU . 47.1 mm -58.18 -41.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 1.07 110.152 175.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.614 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 14.9 mtmt -49.01 -64.84 0.69 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.523 0.677 . . . . 1.55 110.581 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.3 ttp -56.88 -49.24 76.12 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.358 -1.292 . . . . 1.92 111.765 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 68.0 m -50.66 -47.22 58.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 1.07 111.251 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.798 HD11 ' O ' ' A' ' 100' ' ' ILE . 3.6 mp -79.7 -49.95 11.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.825 -0.625 . . . . 1.69 109.494 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -55.21 -44.16 75.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.531 -1.213 . . . . 2.1 111.901 -177.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.73 -44.56 89.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.379 0.133 . . . . 2.91 111.007 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.514 HG23 ' HB1' ' A' ' 25' ' ' ALA . 78.2 mt -61.94 -41.79 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.065 0.46 . . . . 1.16 110.217 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.15 -45.42 98.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.912 -0.586 . . . . 1.14 110.33 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.437 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 47.9 t -61.04 -37.29 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 1.9 110.529 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.65 -34.95 75.05 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.186 0.595 . . . . 3.42 111.345 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -89.24 -16.43 31.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 3.1 110.673 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 34.1 mttm -74.54 -49.87 20.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 2.18 110.396 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.53 -29.49 27.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.283 -0.871 . . . . 1.6 110.053 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 63.48 20.36 12.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.46 -1.245 . . . . 1.53 112.11 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.284 -0.865 . . . . 2.23 109.876 177.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.406 0.146 . . . . 3.79 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.9 p -71.88 -56.39 5.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 3.18 110.995 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 84.1 mm-40 -65.1 -26.97 68.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.104 -0.498 . . . . 4.1 110.362 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.62 -43.22 99.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.634 -0.712 . . . . 2.67 110.457 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.1 -36.88 72.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.419 . . . . 2.16 110.004 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.626 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 43.0 m-85 -64.08 -15.68 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.814 -0.63 . . . . 2.44 111.506 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 94.9 mt -85.05 -53.31 5.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.692 -0.231 . . . . 2.97 110.84 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -71.93 -34.83 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.331 0.493 . . . . 3.28 112.331 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.626 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.3 p-90 -71.56 -23.35 61.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.41 0.624 . . . . 1.24 109.844 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -84.35 -47.62 10.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.507 -0.77 . . . . 1.02 109.98 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -73.9 -33.13 63.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.521 -0.763 . . . . 3.92 111.478 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -57.44 -49.46 76.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 2.15 110.743 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -45.31 20.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.144 -0.48 . . . . 2.41 112.101 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.86 -43.71 62.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.376 0.51 . . . . 3.14 112.376 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.5 -16.46 62.34 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.806 -0.358 . . . . 2.58 110.665 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.61 HE21 ' HA ' ' B' ' 37' ' ' GLN . 0.0 OUTLIER -64.62 -28.89 69.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 4.0 110.4 177.018 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.44 -28.94 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 3.22 109.996 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 49.4 ttm -80.96 -40.59 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.709 -0.678 . . . . 4.79 110.392 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 118.559 -1.134 . . . . 6.18 111.609 178.091 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.475 0.428 0 N-CA-C 110.557 -0.594 . . . . 4.35 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.448 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 31.6 p 44.26 75.66 0.1 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 124.294 0.996 . . . . 1.99 112.664 177.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -152.64 -14.48 0.17 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.806 0.299 . . . . 1.21 111.806 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.622 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 52.7 p -152.48 167.26 29.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.794 0.807 . . . . 0.91 112.727 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.94 148.94 5.79 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 114.052 -1.431 . . . . 0.17 110.311 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.594 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.89 115.94 7.2 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.274 0.559 . . . . 1.07 111.646 -173.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.79 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -124.52 177.51 5.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.86 -1.064 . . . . 1.05 109.901 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.612 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.17 138.23 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 110.32 -0.252 . . . . 1.08 110.32 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.648 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 48.2 t80 -147.35 132.86 18.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.688 -0.856 . . . . 0.45 108.688 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.648 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.9 mt-10 65.19 32.28 10.2 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.168 0.509 . . . . 1.33 110.694 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.7 mmtm 65.09 4.05 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.885 -1.052 . . . . 2.85 113.463 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.401 ' O ' HG21 ' A' ' 8' ' ' ILE . 1.9 p -104.84 148.41 9.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.876 -0.787 . . . . 1.04 108.876 171.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.612 ' HA ' HG13 ' A' ' 8' ' ' ILE . 16.2 t -95.74 154.11 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.393 0.616 . . . . 1.8 111.676 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -172.66 -150.47 7.35 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 114.755 -1.111 . . . . 0.22 111.435 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.594 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.58 144.88 29.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 1.05 109.863 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.13 129.38 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 106.975 -1.491 . . . . 1.06 106.975 171.535 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.41 111.64 7.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.833 0.349 . . . . 1.0 111.86 -169.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.66 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.1 mp -90.11 127.54 42.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.167 0.508 . . . . 1.03 110.521 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -114.71 119.94 38.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.363 -0.835 . . . . 1.36 110.551 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 9.4 mt-10 -122.38 72.83 1.08 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.468 -0.938 . . . . 1.47 108.468 168.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.04 -20.56 11.46 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.104 1.43 . . . . 3.67 108.185 164.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -107.47 -170.23 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 112.116 -2.311 . . . . 1.47 111.601 -161.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.483 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 9.1 p -73.56 168.84 21.71 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 105.853 -1.906 . . . . 1.72 105.853 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 49.9 Cg_exo -34.87 126.33 0.22 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.363 2.042 . . . . 0.69 113.597 -144.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.78 131.05 1.38 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 113.527 -1.67 . . . . 1.1 112.543 -166.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.449 ' HB2' HG23 ' A' ' 39' ' ' THR . 0.0 OUTLIER -117.72 148.89 41.59 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.231 0.539 . . . . 0.69 110.49 -176.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.426 HD13 HD13 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -103.11 129.85 50.09 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.381 -0.827 . . . . 1.22 108.914 179.763 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -118.52 108.02 14.48 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.187 -0.46 . . . . 1.06 111.048 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.525 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -91.76 121.39 33.35 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.689 -0.856 . . . . 0.22 108.689 171.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.571 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER -125.04 128.96 49.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.979 -0.555 . . . . 2.49 110.284 177.614 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.419 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.1 p -60.71 156.76 16.13 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 0.97 110.279 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.6 p -59.31 -20.71 56.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.841 -0.618 . . . . 1.28 112.175 -173.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.33 -28.45 29.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.483 . . . . 2.57 110.713 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.02 -1.43 57.74 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.835 -0.62 . . . . 1.41 112.092 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.52 -47.07 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.788 0.328 . . . . 2.64 111.582 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 9.0 mttp -91.54 130.54 37.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.311 -0.404 . . . . 1.81 111.399 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.4 t -138.87 125.3 24.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.95 -0.759 . . . . 1.53 108.95 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.5 117.38 20.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.042 -0.725 . . . . 0.38 109.042 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.449 HG23 ' HB2' ' A' ' 26' ' ' GLU . 1.1 m -109.67 124.49 51.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.709 0.766 . . . . 1.03 112.037 -171.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 t -109.55 103.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.611 -1.177 . . . . 1.09 110.738 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.3 OUTLIER -70.86 116.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.708 . . . . 1.3 109.405 175.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.45 -17.52 63.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.82 -1.082 . . . . 1.86 113.063 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.482 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 29.3 t -66.29 -15.1 62.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.771 0.319 . . . . 1.37 110.84 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 p -102.87 4.6 37.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.579 -0.282 . . . . 1.05 110.843 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.487 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.4 mm -100.59 130.59 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.03 0.443 . . . . 1.07 110.879 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -91.35 -47.18 7.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.7 110.916 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.563 ' HB3' HG13 ' A' ' 63' ' ' ILE . 40.3 tptt -133.62 169.97 16.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.16 110.138 -175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -146.0 137.52 24.87 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.224 -0.898 . . . . 1.98 108.86 176.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -144.15 138.11 27.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.033 0.444 . . . . 2.28 111.522 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.572 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -112.01 166.54 11.14 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.598 -0.728 . . . . 1.17 109.308 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.43 137.05 96.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 1.15 111.108 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.07 155.16 24.73 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.385 2.723 . . . . 1.22 112.049 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -17.86 61.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.883 -0.599 . . . . 1.98 111.903 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.6 p -84.72 -4.74 59.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.08 0.467 . . . . 1.7 110.789 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -111.81 127.64 55.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.49 110.039 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -40.98 71.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.593 -0.73 . . . . 2.37 111.158 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -57.37 122.72 13.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.891 0.745 . . . . 2.71 111.679 -167.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.676 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.4 mpp? -77.12 116.1 17.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 1.6 111.191 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 tpp -153.32 137.06 16.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.96 -0.563 . . . . 1.26 111.899 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.6 HD22 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -119.94 147.79 44.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.474 -0.565 . . . . 1.23 109.474 170.034 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -116.94 141.89 47.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.879 -0.601 . . . . 2.99 111.584 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -108.66 103.69 12.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.731 -1.122 . . . . 1.45 108.707 171.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.0 mm -87.84 99.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.284 -0.635 . . . . 1.24 109.284 -176.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -70.52 148.91 46.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.534 -0.841 . . . . 0.37 112.744 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -69.39 159.37 33.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.668 0.747 . . . . 1.67 112.09 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 66' ' ' VAL . 27.1 m -116.93 109.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 114.649 -1.159 . . . . 2.1 109.201 171.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.61 145.78 47.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.403 -0.591 . . . . 4.14 109.403 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.76 -23.46 67.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.125 -0.489 . . . . 4.79 111.76 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -87.36 -8.57 56.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 4.96 110.795 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -86.08 -6.46 59.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.078 -0.51 . . . . 7.36 110.981 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 11.9 mptt -55.25 153.1 7.37 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.993 0.425 . . . . 8.58 110.906 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -133.67 167.87 19.73 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.101 -0.5 . . . . 11.45 111.478 -169.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 53.3 mtmt -120.33 147.9 44.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.543 -0.753 . . . . 9.28 109.899 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.75 -172.25 3.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 8.74 110.156 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -60.33 -33.06 71.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.299 0.481 . . . . 11.84 112.299 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -96.51 17.88 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.982 0.42 . . . . 11.2 110.931 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.99 46.08 46.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.859 -0.686 . . . . 8.99 111.624 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 2.7 m-20 -96.65 109.65 22.23 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 108.001 -1.111 . . . . 9.0 108.001 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.5 70.0 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.506 -1.225 . . . . 8.38 111.065 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.58 142.62 13.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.87 -1.059 . . . . 5.78 110.925 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.56 127.93 86.55 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 115.977 -0.556 . . . . 4.58 110.07 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.47 135.17 19.76 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.742 2.294 . . . . 3.42 112.237 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 12.2 mptt -78.98 123.81 84.96 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.51 -0.768 . . . . 4.83 109.709 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.51 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 73.8 Cg_exo -53.51 128.76 30.67 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.799 2.999 . . . . 1.13 112.404 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -79.03 117.04 19.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.566 -0.743 . . . . 2.53 109.614 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -106.32 147.93 28.61 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.572 0.701 . . . . 2.89 112.012 -173.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 66.6 m-70 -102.83 153.86 19.76 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.566 -1.272 . . . . 0.71 107.566 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.411 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 33.3 ttm -135.88 128.83 31.32 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.12 -0.632 . . . . 1.33 110.977 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.87 137.74 53.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 1.18 110.307 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.4 t -106.99 134.38 50.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.715 0.293 . . . . 1.5 111.142 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.79 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 68.3 m-85 -113.29 179.8 3.86 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.321 -0.622 . . . . 0.4 109.321 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.52 20.07 7.98 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.523 . . . . 1.58 110.407 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 23.9 t-20 -147.24 129.9 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 1.62 110.379 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.555 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 18.6 mmm180 -68.26 -36.96 80.24 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 4.27 111.165 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.523 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 44.7 m -64.85 -46.89 79.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 1.1 110.809 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.72 -51.53 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 115.996 -0.547 . . . . 1.07 110.382 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.4 mtp -46.46 -64.28 0.8 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.37 0.419 . . . . 1.36 111.837 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.7 t70 -53.43 -38.89 63.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.513 0.508 . . . . 0.67 111.735 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.33 -61.11 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.092 0.245 . . . . 1.55 110.849 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.769 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.9 mm -54.33 -48.02 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 1.07 109.809 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.6 ' HB2' HD22 ' A' ' 60' ' ' LEU . 4.0 ttpp -47.65 -55.65 8.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.697 -0.683 . . . . 1.55 110.666 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.59 -51.46 62.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.883 -0.599 . . . . 1.92 111.324 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 107' ' ' ILE . 28.3 m -46.37 -54.46 9.0 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.893 0.745 . . . . 1.07 110.98 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.769 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -68.9 -51.14 43.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.057 -0.974 . . . . 1.69 109.667 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -50.77 -46.96 59.71 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.123 -0.944 . . . . 2.1 111.787 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 54.6 mt-30 -67.95 -43.86 78.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.127 -0.488 . . . . 2.91 111.291 -177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 103' ' ' THR . 59.1 mt -64.47 -38.89 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.826 0.346 . . . . 1.16 110.279 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.0 mt -57.44 -45.32 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 1.14 110.109 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 42.2 t -63.72 -32.9 74.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.496 -0.775 . . . . 1.9 110.743 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 96.6 mtt180 -63.1 -34.46 77.64 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.66 -0.246 . . . . 3.42 110.847 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -88.13 -15.8 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.302 0.572 . . . . 3.1 110.501 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 60.6 mttt -71.61 -54.15 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.553 -0.749 . . . . 2.18 110.071 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.93 -36.85 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.655 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 17.94 10.79 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.38 -1.282 . . . . 1.53 112.618 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.758 -0.639 . . . . 2.23 110.509 179.512 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 111.59 0.218 . . . . 3.79 111.59 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -74.0 -54.67 7.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.729 0.3 . . . . 3.18 111.467 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.449 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 97.7 mt-30 -61.61 -29.47 70.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.475 . . . . 4.1 110.347 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.67 -31.94 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 2.67 110.367 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.54 -40.8 63.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.696 -0.684 . . . . 2.16 110.386 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.74 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 62.7 m-85 -60.76 -37.88 83.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 2.44 110.764 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 95.2 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 2.97 110.324 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -80.5 -50.12 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.636 . . . . 3.28 112.158 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.74 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 33.9 p-90 -72.84 -31.54 64.85 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.42 -0.512 . . . . 1.24 111.26 -174.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.535 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.3 t-105 -73.36 -47.29 43.47 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.26 -0.576 . . . . 1.02 110.071 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.455 ' HD2' ' OE1' ' B' ' 35' ' ' GLU . 20.5 tpt180 -65.24 -35.48 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 3.92 110.713 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -65.13 -39.0 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 2.15 110.757 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.516 ' HA ' ' NE2' ' B' ' 37' ' ' GLN . 14.2 mt-10 -78.47 -25.12 45.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.648 -0.251 . . . . 2.41 111.293 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 41.3 mt-10 -62.13 -27.44 68.94 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.51 0.195 . . . . 3.14 111.034 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.0 -18.47 64.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.754 0.312 . . . . 2.58 111.074 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' B' ' 34' ' ' GLU . 1.8 mp0 -89.06 -20.13 24.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 4.0 110.693 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -97.3 -39.41 9.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 3.22 110.474 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 49.6 tpp 72.23 -59.36 0.56 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.958 0.903 . . . . 4.79 111.596 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.619 -1.101 . . . . 6.18 112.123 178.523 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.478 0.593 0 N-CA-C 110.819 -0.493 . . . . 4.35 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p 58.8 3.56 0.32 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.765 1.226 . . . . 1.99 113.944 174.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.07 -5.05 56.99 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.92 -0.487 . . . . 1.21 111.479 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.569 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 13.0 p -153.89 159.28 41.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.557 0.694 . . . . 0.91 112.341 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.25 152.51 9.38 Favored Glycine 0 CA--C 1.498 -1.024 0 CA-C-N 114.39 -1.277 . . . . 0.17 110.419 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.573 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.56 117.75 9.19 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.532 0.682 . . . . 1.07 111.7 -173.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.711 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.15 172.26 9.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.861 -1.063 . . . . 1.05 109.466 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.61 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -131.43 134.38 60.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 116.315 -0.402 . . . . 1.08 109.918 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.612 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 46.0 t80 -147.92 130.52 15.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.22 -0.659 . . . . 0.45 109.22 -175.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.612 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 49.9 mt-10 63.23 37.65 11.04 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.601 0.715 . . . . 1.33 110.917 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.17 4.4 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.663 -1.153 . . . . 2.85 113.443 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 13' ' ' SER . 1.9 p -108.33 148.78 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.679 -0.86 . . . . 1.04 108.679 171.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.61 ' HA ' HG13 ' A' ' 8' ' ' ILE . 8.2 m -97.06 154.81 17.1 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.228 -0.442 . . . . 1.8 111.547 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' C ' HD11 ' A' ' 15' ' ' ILE . . . -172.98 -149.81 7.03 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.22 111.849 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.573 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.63 145.73 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.459 . . . . 1.05 109.762 174.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.569 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -99.9 132.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 107.073 -1.454 . . . . 1.06 107.073 171.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.36 110.8 6.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.931 0.395 . . . . 1.0 111.918 -170.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.686 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.6 mp -92.63 123.98 44.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.145 0.498 . . . . 1.03 110.069 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -115.02 128.09 56.06 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.423 -0.808 . . . . 1.36 111.463 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 22.5 mt-10 -120.62 71.99 0.94 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.076 -1.083 . . . . 1.47 108.076 166.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.08 -24.77 10.13 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 123.188 1.471 . . . . 3.67 108.1 165.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 23' ' ' SER . 27.1 m -107.12 -170.43 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 CA-C-N 111.756 -2.475 . . . . 1.47 111.245 -162.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.419 ' O ' HG22 ' A' ' 22' ' ' VAL . 14.5 m -73.04 169.34 18.12 Favored Pre-proline 0 C--N 1.313 -0.983 0 N-CA-C 105.616 -1.994 . . . . 1.72 105.616 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.53 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -34.19 125.49 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.659 2.239 . . . . 0.69 113.745 -146.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -36.78 130.1 0.78 Allowed 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.445 -1.707 . . . . 1.1 112.769 -166.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 4.7 mt-10 -116.48 150.02 38.57 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.24 -0.584 . . . . 0.69 109.824 -176.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD13 HD13 ' A' ' 18' ' ' ILE . 0.5 OUTLIER -102.35 128.72 48.8 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.656 -0.868 . . . . 1.22 108.656 179.345 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.5 m -122.19 107.88 12.66 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 116.119 -0.491 . . . . 1.06 111.088 -170.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.539 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 86.3 t90 -90.42 119.98 31.15 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.089 -0.708 . . . . 0.22 109.089 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -121.46 124.84 45.43 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.75 -0.659 . . . . 2.49 110.25 177.163 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.405 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 95.2 p -58.3 150.4 22.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.247 -0.888 . . . . 0.97 109.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -49.75 -37.36 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.963 0.357 . . . . 1.28 111.963 -173.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -29.19 69.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.22 -0.446 . . . . 2.57 111.661 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.12 3.28 57.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.094 -0.574 . . . . 1.41 111.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.27 -62.62 1.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.12 0.486 . . . . 2.64 110.692 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 4.3 mttp -79.43 120.63 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.81 111.326 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.8 t -131.01 120.41 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.922 -0.769 . . . . 1.53 108.922 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.402 ' O ' ' HA ' ' A' ' 28' ' ' THR . 22.4 m-70 -121.16 122.55 40.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.388 -0.597 . . . . 0.38 109.388 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.3 129.04 56.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.24 0.543 . . . . 1.03 111.59 -172.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t -118.49 101.61 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.202 -0.908 . . . . 1.09 110.353 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.74 115.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.596 0.712 . . . . 1.3 109.384 176.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 mt -64.4 -15.71 61.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.903 -1.044 . . . . 1.86 112.971 -169.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.53 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 21.6 t -68.23 -17.44 64.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.672 0.272 . . . . 1.37 110.567 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -95.8 1.47 53.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 1.05 110.934 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.515 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 14.7 mm -102.21 140.59 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 120.963 0.411 . . . . 1.07 111.043 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.418 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 22.9 t70 -104.19 -44.42 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.61 . . . . 0.7 111.239 -177.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.542 ' HB3' HG13 ' A' ' 63' ' ' ILE . 46.8 tptt -133.07 167.02 21.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.202 0.525 . . . . 2.16 110.106 -175.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.497 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.98 130.98 23.13 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.544 -0.753 . . . . 1.98 109.694 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.508 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 16.1 mm-40 -124.95 155.38 39.69 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.611 -0.722 . . . . 2.28 110.265 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' O ' ' A' ' 59' ' ' MET . . . -149.02 163.75 36.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.244 -0.435 . . . . 1.17 110.155 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.5 146.53 91.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.845 0.355 . . . . 1.15 111.645 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -59.39 134.49 59.0 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.841 2.361 . . . . 1.22 111.921 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.15 56.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 1.98 111.449 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 p -74.77 -13.58 60.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.949 -0.569 . . . . 1.7 110.434 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -102.11 158.26 16.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.115 -0.698 . . . . 1.49 109.115 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -85.58 -36.32 20.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.139 -0.482 . . . . 2.37 110.941 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -69.32 145.03 53.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.71 111.213 -174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.406 ' SD ' ' N ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -116.66 119.16 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.844 -0.616 . . . . 1.6 110.685 -172.59 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 50' ' ' ALA . 13.1 tpp -138.35 132.93 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.62 -0.263 . . . . 1.26 110.624 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -114.62 146.2 41.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.811 -0.44 . . . . 1.23 109.811 175.154 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.508 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.8 mtm180 -124.82 137.19 54.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.601 0.715 . . . . 2.99 111.586 171.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -102.96 102.79 12.86 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.086 -1.415 . . . . 1.45 108.709 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.542 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.1 mm -87.61 100.54 10.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 109.717 -0.475 . . . . 1.24 109.717 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.536 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -66.97 151.39 52.45 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.545 -0.836 . . . . 0.37 112.802 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 66.2 mttt -71.2 154.49 41.64 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 122.32 1.057 . . . . 1.67 112.103 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.476 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 16.1 m -120.54 146.06 25.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 113.145 -1.843 . . . . 2.1 110.542 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.51 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 5.3 m-20 -104.5 122.51 45.7 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.374 -0.973 . . . . 4.14 108.374 168.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.0 -19.49 64.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.185 -0.461 . . . . 4.79 110.937 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 p -84.42 -6.16 59.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.121 -0.491 . . . . 4.96 112.101 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HD2' ' HB2' ' A' ' 67' ' ' ASP . 80.2 mttt -86.52 -32.61 20.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 7.36 110.293 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -92.42 155.21 18.02 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.104 -0.702 . . . . 8.58 109.104 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -96.64 149.66 21.54 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 122.183 0.992 . . . . 11.45 112.211 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.55 154.81 36.59 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.657 -1.61 . . . . 9.28 110.843 178.655 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -80.3 -175.83 5.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.87 -0.605 . . . . 8.74 109.491 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 11.84 111.172 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.12 6.13 30.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.136 -0.483 . . . . 11.2 111.385 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 60.52 32.91 79.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.675 -0.693 . . . . 8.99 112.9 179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -47.14 -34.56 6.25 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.958 0.725 . . . . 9.0 112.958 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 46.1 mt-10 57.57 67.61 0.95 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.1 -0.704 . . . . 8.38 109.1 -172.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.08 148.33 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.029 -0.987 . . . . 5.78 111.121 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.99 125.43 58.83 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.585 -0.734 . . . . 4.58 109.728 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.476 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 58.0 Cg_endo -72.61 152.01 53.19 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.432 2.088 . . . . 3.42 111.832 -176.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.6 ptpp? -66.95 119.91 67.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.465 0.65 . . . . 4.83 110.795 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.536 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 51.1 Cg_exo -59.38 141.08 97.1 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 124.116 3.21 . . . . 1.13 113.67 -175.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -83.9 117.8 23.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.053 -0.721 . . . . 2.53 109.053 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.7 ptt180 -111.56 159.7 17.89 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.261 0.553 . . . . 2.89 111.86 -172.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.571 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 48.3 m-70 -116.53 146.59 42.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.3 -1.0 . . . . 0.71 108.3 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.5 ttm -127.94 129.89 47.55 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.051 -0.66 . . . . 1.33 111.257 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -125.47 136.96 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.052 0.453 . . . . 1.18 110.124 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.485 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 19.3 m -97.5 151.69 19.76 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.445 -0.798 . . . . 1.5 109.498 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.711 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.9 m-85 -128.45 178.53 6.22 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.042 -0.725 . . . . 0.4 109.042 168.396 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -134.35 30.72 3.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.78 -0.646 . . . . 1.58 110.155 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.424 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.6 t-20 -149.17 121.46 8.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.593 -0.892 . . . . 1.62 108.593 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.6 ttp180 -72.71 -26.71 61.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 4.27 111.177 -171.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 21.7 m -67.5 -47.01 71.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.315 -0.402 . . . . 1.1 110.388 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.9 t -49.98 -58.3 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 115.838 -0.619 . . . . 1.07 111.623 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.631 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 ptm -53.88 -48.08 70.42 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 120.803 -0.359 . . . . 1.36 111.805 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.631 ' N ' ' HG3' ' A' ' 97' ' ' MET . 18.2 t70 -60.8 -43.35 98.24 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 123.744 0.653 . . . . 0.67 111.672 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -63.89 -51.32 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.457 -0.338 . . . . 1.55 110.753 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.795 ' O ' HD12 ' A' ' 104' ' ' LEU . 49.4 mm -58.1 -46.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.769 -0.65 . . . . 1.07 109.593 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 25.3 mtpt -42.51 -64.97 0.52 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.419 0.628 . . . . 1.55 111.707 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.2 ttp -57.91 -48.3 80.27 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.551 -1.204 . . . . 1.92 111.909 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.483 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 m -55.41 -48.05 74.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.923 -0.58 . . . . 1.07 111.486 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -71.56 -49.46 40.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.329 0.585 . . . . 1.69 109.524 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.25 -51.41 54.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.53 -1.214 . . . . 2.1 111.782 -177.727 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -67.23 -43.16 82.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.875 0.324 . . . . 2.91 111.875 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 103' ' ' THR . 64.7 mt -62.26 -41.07 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.007 -0.368 . . . . 1.16 110.007 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.95 -51.86 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 1.14 110.562 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -64.42 -23.35 67.25 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.706 -0.679 . . . . 1.9 111.451 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.525 ' NH2' ' HH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -76.8 -31.04 56.7 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 120.992 0.425 . . . . 3.42 110.115 179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.525 ' HH ' ' NH2' ' A' ' 110' ' ' ARG . 25.5 m-85 -87.19 -16.84 34.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 3.1 109.954 174.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -75.43 -60.1 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.458 -0.792 . . . . 2.18 109.57 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.22 -29.18 67.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.747 -1.115 . . . . 1.6 110.954 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 60.88 24.49 14.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 114.903 -1.044 . . . . 1.53 111.083 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.357 -0.838 . . . . 2.23 110.57 -177.526 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.583 0.23 . . . . 3.79 111.085 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -66.84 -51.23 58.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.869 0.322 . . . . 3.18 111.869 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 65.1 tt0 -68.53 -27.51 66.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.419 . . . . 4.1 110.011 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.77 -38.73 86.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 2.67 110.342 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.49 -47.25 86.25 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.977 -0.556 . . . . 2.16 110.652 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.576 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 53.6 m-85 -62.21 -24.46 67.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 2.44 111.569 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 90.1 mt -78.85 -51.32 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 2.97 110.584 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' HZ3' ' B' ' 29' ' ' LYS . 0.2 OUTLIER -74.31 -42.26 59.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 3.28 112.4 -173.111 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.8 p-90 -67.14 -34.09 76.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.742 -0.383 . . . . 1.24 110.783 -173.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -40.21 79.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.149 0.5 . . . . 1.02 110.055 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.82 -25.27 61.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.903 -0.59 . . . . 3.92 110.404 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.406 ' O ' ' HG2' ' B' ' 37' ' ' GLN . 34.0 t -69.72 -45.18 68.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 2.15 109.752 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 46.9 mm-40 -65.06 -42.69 93.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 2.41 110.387 177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.16 -35.82 74.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.821 -0.627 . . . . 3.14 110.163 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.03 77.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.632 -0.713 . . . . 2.58 110.984 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' B' ' 33' ' ' SER . 12.5 mm100 -66.55 -30.83 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 4.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.57 -32.9 68.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.14 0.495 . . . . 3.22 110.156 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ttt -73.14 -45.77 54.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.589 -0.732 . . . . 4.79 110.527 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.943 -0.92 . . . . 6.18 112.068 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.478 0.582 0 N-CA-C 110.5 -0.615 . . . . 4.35 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.599 ' HA ' ' OD1' ' A' ' 99' ' ' ASN . 11.8 p -131.79 143.14 49.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.095 -0.335 . . . . 1.99 110.095 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 2' ' ' SER . 35.2 m80 70.61 -16.36 0.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.292 0.637 . . . . 1.21 111.384 -174.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 15.9 p -147.41 167.12 25.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.387 0.613 . . . . 0.91 111.313 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.2 149.53 6.57 Favored Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 114.562 -1.199 . . . . 0.17 110.266 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.8 120.28 13.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.416 0.627 . . . . 1.07 111.119 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.773 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -127.3 172.78 10.31 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.157 -0.929 . . . . 1.05 109.693 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.618 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.06 133.68 62.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 109.95 -0.389 . . . . 1.08 109.95 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.615 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 49.4 t80 -149.9 136.89 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.899 -0.778 . . . . 0.45 108.899 -175.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.615 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 44.6 mt-10 62.21 34.3 16.17 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.319 0.581 . . . . 1.33 111.184 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.2 11.87 5.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.663 -1.153 . . . . 2.85 112.554 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG11 ' O ' ' A' ' 9' ' ' PHE . 1.8 p -116.81 149.0 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.778 -0.823 . . . . 1.04 108.778 172.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.618 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.9 m -91.57 154.1 19.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.155 0.502 . . . . 1.8 111.717 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -169.71 -154.51 9.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.501 -0.772 . . . . 0.22 111.898 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.576 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -121.97 145.75 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.454 -0.572 . . . . 1.05 109.454 172.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.558 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.44 132.65 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 107.256 -1.387 . . . . 1.06 107.256 170.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.3 106.64 5.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.323 0.49 . . . . 1.0 112.323 -170.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.401 HG13 ' HB2' ' A' ' 27' ' ' LEU . 2.5 mp -86.44 119.21 34.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.651 -0.499 . . . . 1.03 109.651 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -108.09 124.27 49.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.624 -0.716 . . . . 1.36 111.27 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.24 71.66 0.87 Allowed 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.861 -1.163 . . . . 1.47 107.861 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -112.91 -24.1 9.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 122.866 1.317 . . . . 3.67 108.419 165.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.24 -170.42 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 112.394 -2.185 . . . . 1.47 111.65 -162.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.446 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 61.6 m -74.33 170.91 12.78 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 105.939 -1.874 . . . . 1.72 105.939 172.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 52.3 Cg_exo -33.69 125.81 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.524 2.15 . . . . 0.69 113.691 -143.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 42' ' ' LEU . . . -39.67 131.78 1.73 Allowed 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 113.865 -1.516 . . . . 1.1 112.216 -167.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.89 147.48 42.16 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.327 -176.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.6 OUTLIER -102.32 128.69 48.78 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.606 -0.887 . . . . 1.22 108.606 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.1 m -120.38 107.35 12.81 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.279 -0.419 . . . . 1.06 110.88 -173.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.532 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 84.0 t90 -89.17 122.55 32.57 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.179 -1.045 . . . . 0.22 108.179 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.498 ' HB3' HG21 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -133.23 127.72 34.33 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.51 0.671 . . . . 2.49 111.09 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.441 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.5 p -60.42 142.74 54.62 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.113 -1.403 . . . . 0.97 109.81 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.44 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 13.5 p -56.34 -23.21 35.83 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.756 0.66 . . . . 1.28 111.954 -173.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.42 -27.34 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 2.57 111.116 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.63 -1.02 56.8 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.166 -0.54 . . . . 1.41 112.393 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.93 -62.91 1.43 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.742 0.306 . . . . 2.64 111.694 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 8.9 mttp -75.99 129.72 37.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.81 111.409 -178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -141.37 124.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.94 -0.763 . . . . 1.53 108.94 176.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.1 m-70 -128.35 122.64 31.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.8 -0.444 . . . . 0.38 109.8 -177.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.41 120.1 40.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.374 0.606 . . . . 1.03 112.152 -170.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -108.83 102.12 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.105 -0.952 . . . . 1.09 110.491 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.19 117.15 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.323 0.583 . . . . 1.3 109.461 175.835 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 2.7 mm? -51.25 -27.59 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.009 -0.996 . . . . 1.86 113.636 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 13.9 t -61.38 -16.59 47.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 1.37 111.494 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -102.19 3.48 38.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 1.05 110.639 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.463 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 22.4 mm -98.91 140.24 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 1.07 110.647 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -99.23 -44.23 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.943 -0.571 . . . . 0.7 110.478 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 47.8 tptt -144.56 175.14 10.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 2.16 109.774 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.564 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 2.4 pt? -140.86 153.66 45.83 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.582 -0.895 . . . . 1.98 108.582 168.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.57 140.04 40.77 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.908 -0.404 . . . . 2.28 109.908 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.17 150.93 49.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.211 -0.449 . . . . 1.17 110.631 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.549 HG22 ' CH2' ' B' ' 30' ' ' TRP . 4.5 p -69.82 147.1 96.06 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.853 -0.612 . . . . 1.15 112.119 -176.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -55.84 140.87 85.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.836 3.024 . . . . 1.22 112.458 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.61 -18.76 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 1.98 111.336 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -31.98 68.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.987 -0.551 . . . . 1.7 110.173 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -83.7 143.52 29.99 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.795 -0.638 . . . . 1.49 110.407 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.2 -42.3 38.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.191 -0.459 . . . . 2.37 110.98 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -61.27 133.58 56.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.473 0.654 . . . . 2.71 110.772 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.574 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 23.5 mtm -107.74 115.09 29.52 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.831 -1.077 . . . . 1.6 111.217 -167.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.493 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.9 tpp -143.06 139.83 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 1.26 111.778 -172.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.01 145.74 47.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.704 -0.48 . . . . 1.23 109.704 168.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -112.89 151.35 30.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.827 -0.624 . . . . 2.99 110.564 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.59 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -114.42 105.68 13.41 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.732 -1.21 . . . . 1.45 107.732 174.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG13 ' HB3' ' A' ' 47' ' ' LYS . 1.4 mm -88.31 97.79 7.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.444 -0.947 . . . . 1.24 108.444 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -76.73 151.17 39.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.427 -0.892 . . . . 0.37 112.643 -173.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -64.3 156.74 28.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.814 0.816 . . . . 1.67 112.017 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.533 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 17.3 m -114.99 167.13 7.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.498 -1.228 . . . . 2.1 110.281 -177.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.3 98.64 8.99 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.703 -0.681 . . . . 4.14 109.969 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.57 -42.76 97.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.929 -0.578 . . . . 4.79 111.46 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 p -71.28 -21.39 62.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 4.96 111.878 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -72.75 -34.18 66.85 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.909 0.385 . . . . 7.36 110.645 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -92.77 158.73 15.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.614 0.721 . . . . 8.58 111.606 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -126.58 161.46 27.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.676 -1.147 . . . . 11.45 110.222 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -75.33 167.97 20.9 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.725 -0.67 . . . . 9.28 110.38 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.41 -173.47 4.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.848 -0.615 . . . . 8.74 109.643 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.419 ' OD1' ' HG3' ' A' ' 76' ' ' GLU . 30.2 p30 -67.88 -15.97 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.357 0.526 . . . . 11.84 111.528 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' HG3' ' OD1' ' A' ' 75' ' ' ASN . 44.9 mt-10 -102.35 13.26 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.923 0.392 . . . . 11.2 110.547 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.12 43.47 95.24 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 115.791 -0.64 . . . . 8.99 111.621 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -59.43 -39.02 82.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.539 0.57 . . . . 9.0 112.539 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 56.3 77.95 0.23 Allowed 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.949 -0.76 . . . . 8.38 108.949 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.78 148.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.016 -0.993 . . . . 5.78 110.308 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 p -80.07 128.74 72.61 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.124 -0.489 . . . . 4.58 110.565 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.7 146.04 23.53 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.706 2.271 . . . . 3.42 111.412 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -64.62 115.84 23.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.545 0.688 . . . . 4.83 111.137 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.533 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 50.4 Cg_exo -59.54 143.87 99.57 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 C-N-CA 124.328 3.352 . . . . 1.13 112.792 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.52 114.91 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.509 . . . . 2.53 109.863 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HE ' ' CD1' ' A' ' 63' ' ' ILE . 17.4 mtt180 -102.85 142.85 33.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.726 0.774 . . . . 2.89 112.941 -173.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 29.4 m-70 -116.7 140.25 49.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.293 -1.373 . . . . 0.71 107.293 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.0 ttm -128.07 131.25 49.1 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.147 -0.621 . . . . 1.33 110.78 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.402 ' CE1' HD21 ' A' ' 62' ' ' LEU . 16.6 m-85 -128.99 137.42 51.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 1.18 110.499 -177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.575 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 36.8 m -100.07 131.74 45.85 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.842 -0.617 . . . . 1.5 111.337 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.773 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 88.1 m-85 -113.38 176.98 4.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.132 0.492 . . . . 0.4 110.63 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -137.43 14.89 2.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.263 -0.88 . . . . 1.58 111.336 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.22 142.15 39.96 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.113 0.482 . . . . 1.62 110.389 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.574 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 28.7 mmt-85 -70.7 -42.82 70.16 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.339 -0.846 . . . . 4.27 111.372 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 m -64.97 -47.22 78.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.311 -0.404 . . . . 1.1 110.951 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.5 t -46.35 -51.39 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.576 0.548 . . . . 1.07 111.266 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.504 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 3.9 mtp -44.52 -60.09 2.13 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 112.303 0.483 . . . . 1.36 112.303 174.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.44 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 18.6 t70 -69.87 -34.03 73.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.297 -173.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' A' ' 2' ' ' SER . 8.6 t-20 -69.35 -52.48 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.078 -0.342 . . . . 1.55 110.078 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -59.32 -40.51 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 1.07 109.841 175.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 2.4 mtmt -50.66 -64.89 0.67 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.631 -0.713 . . . . 1.55 110.536 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.2 ttm -55.47 -50.3 70.23 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.617 -1.174 . . . . 1.92 111.744 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -49.23 -57.82 6.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 1.07 111.218 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.19 -55.91 26.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 1.69 111.116 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 16.4 tm0? -44.05 -54.53 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.846 -1.07 . . . . 2.1 112.621 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.557 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 91.7 mt-30 -63.9 -44.83 91.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.741 -0.209 . . . . 2.91 110.993 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.494 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 75.9 mt -62.75 -44.64 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.16 110.59 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.446 HD12 HD22 ' A' ' 48' ' ' LEU . 89.0 mt -54.75 -44.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.188 0.518 . . . . 1.14 110.461 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -69.76 -30.62 68.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.9 110.888 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.4 mtt180 -62.13 -33.2 74.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.207 0.527 . . . . 3.42 110.65 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.458 ' CE2' HG22 ' A' ' 107' ' ' ILE . 25.1 m-85 -86.82 -10.97 52.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 3.1 110.25 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -86.14 -50.01 7.33 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.284 -0.871 . . . . 2.18 110.638 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.82 -37.97 73.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.661 . . . . 1.6 109.335 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 61.55 16.63 7.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 114.277 -1.329 . . . . 1.53 113.062 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.922 -0.561 . . . . 2.23 110.29 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.281 0.086 . . . . 3.79 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.512 0.56 . . . . 3.18 112.512 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -67.98 -27.81 66.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 4.1 110.531 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.55 -29.97 41.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 2.67 110.411 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -58.06 -34.31 69.98 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.071 -0.513 . . . . 2.16 110.539 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.682 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 60.5 m-85 -67.97 -14.42 62.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 2.44 111.744 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -90.88 -40.18 11.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.139 -0.689 . . . . 2.97 109.139 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -65.84 -50.4 64.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 3.28 112.262 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.682 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.8 p-90 -69.01 -22.14 64.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.159 0.504 . . . . 1.24 111.025 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.43 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 0.8 OUTLIER -75.55 -44.74 41.85 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.205 -178.512 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -88.9 -17.45 29.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.743 -0.662 . . . . 3.92 112.108 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 60.0 p -70.73 -45.74 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.469 -0.567 . . . . 2.15 109.469 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -68.97 -28.71 66.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.098 -0.501 . . . . 2.41 110.598 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -65.4 -35.01 79.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.165 -0.47 . . . . 3.14 110.231 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' B' ' 39' ' ' MET . . . -70.67 -16.81 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 2.58 111.373 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -63.78 -26.61 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 4.0 110.641 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -72.79 -12.76 61.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.22 111.658 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' B' ' 36' ' ' ALA . 26.6 ptt? -116.17 16.64 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.115 0.483 . . . . 4.79 110.055 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.628 -1.096 . . . . 6.18 111.844 -178.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.481 0.793 0 N-CA-C 111.129 -0.374 . . . . 4.35 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -103.05 135.57 44.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 1.99 110.533 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.5 m80 60.94 7.31 1.46 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.723 -0.671 . . . . 1.21 112.343 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.8 p -166.95 165.31 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.91 111.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.08 148.91 6.1 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 114.723 -1.126 . . . . 0.17 110.44 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.44 116.3 8.03 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.291 0.567 . . . . 1.07 111.614 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.849 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -125.93 164.01 21.71 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.264 -0.88 . . . . 1.05 109.778 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.632 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -124.13 139.33 50.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.633 -0.506 . . . . 1.08 109.633 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -143.53 117.81 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.67 0.271 . . . . 0.45 110.826 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 49.47 64.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.488 -0.778 . . . . 1.33 112.851 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.63 3.43 4.67 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.388 -1.278 . . . . 2.85 113.897 170.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 13' ' ' SER . 2.8 p -126.64 146.16 32.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.044 0.449 . . . . 1.04 110.019 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.632 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.5 m -96.74 158.92 15.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.655 -0.702 . . . . 1.8 111.246 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' C ' HD13 ' A' ' 15' ' ' ILE . . . -177.18 -149.16 7.61 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.026 -0.607 . . . . 0.22 112.689 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.593 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.91 147.37 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 123.498 0.719 . . . . 1.05 109.124 174.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.73 131.67 47.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.157 -1.423 . . . . 1.06 107.157 169.261 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.45 121.96 16.2 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.731 0.301 . . . . 1.0 111.164 -172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.585 ' CD1' HD13 ' A' ' 104' ' ' LEU . 2.5 mp -98.65 125.74 51.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.048 0.928 . . . . 1.03 112.605 -173.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.64 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 14.4 m-20 -82.68 151.6 26.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.366 -1.743 . . . . 1.36 110.256 174.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.665 ' C ' ' H ' ' A' ' 22' ' ' VAL . 27.6 mt-10 -121.24 -135.23 0.31 Allowed 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 126.402 1.881 . . . . 1.47 108.111 -169.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -47.45 24.14 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 128.781 2.832 . . . . 3.67 115.889 -169.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.665 ' H ' ' C ' ' A' ' 20' ' ' GLU . 29.6 m -96.33 -167.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 N-CA-C 106.32 -1.733 . . . . 1.47 106.32 172.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -69.53 144.86 94.72 Favored Pre-proline 0 C--N 1.312 -1.057 0 N-CA-C 105.225 -2.139 . . . . 1.72 105.225 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.434 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 80.8 Cg_exo -34.04 126.76 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.182 2.588 . . . . 0.69 114.167 -143.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 19' ' ' ASN . . . -29.27 121.34 0.14 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.192 -1.822 . . . . 1.1 112.339 -166.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -114.58 138.03 51.15 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.067 -0.515 . . . . 0.69 110.322 -170.161 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD21 ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.35 125.57 48.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.618 0.723 . . . . 1.22 109.265 -178.323 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 5.9 m -114.79 107.53 15.56 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.372 -0.831 . . . . 1.06 110.637 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 69.8 t90 -87.93 123.96 33.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.214 -1.402 . . . . 0.22 107.214 167.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' CB ' HG22 ' A' ' 37' ' ' VAL . 10.5 ptt180 -133.25 138.27 46.4 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 121.454 0.645 . . . . 2.49 110.167 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.449 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 97.0 p -68.58 156.92 37.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.633 -1.167 . . . . 0.97 110.781 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.7 p -58.58 -23.23 58.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.375 -0.83 . . . . 1.28 113.062 -170.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.08 -20.14 35.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.036 0.446 . . . . 2.57 111.003 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.66 7.02 69.45 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.768 -0.651 . . . . 1.41 111.507 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.72 -64.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 2.64 110.895 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 tttt -78.57 130.22 35.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 116.012 -0.54 . . . . 1.81 110.199 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.541 HG22 ' CB ' ' A' ' 30' ' ' ARG . 4.0 t -147.13 129.15 6.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.445 -0.798 . . . . 1.53 109.622 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.58 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m-70 -131.24 129.18 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.437 -0.579 . . . . 0.38 109.437 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.438 HG22 ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.78 117.17 29.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.61 . . . . 1.03 111.559 -172.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 45' ' ' ILE . 57.2 t -103.39 101.11 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 1.09 111.051 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -69.13 115.75 8.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.041 -0.725 . . . . 1.3 109.041 174.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.05 -14.64 60.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.349 0.87 . . . . 1.86 113.349 -168.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 17.2 t -66.52 -14.79 62.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 1.37 110.712 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -100.04 5.78 45.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 1.05 111.056 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.51 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 25.8 mm -101.84 147.56 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 116.174 -0.466 . . . . 1.07 111.457 -178.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -114.97 -40.58 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.7 111.876 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.559 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.5 tmtt? -135.26 174.48 10.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.298 0.571 . . . . 2.16 110.338 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.18 140.41 29.31 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.631 -0.878 . . . . 1.98 108.631 174.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.558 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 99.2 mt-30 -128.26 142.75 51.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.42 -0.355 . . . . 2.28 110.354 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -144.32 145.59 32.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.814 -0.63 . . . . 1.17 109.518 -176.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p -61.48 134.55 93.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.11 0.481 . . . . 1.15 111.941 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.4 161.53 20.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.501 2.801 . . . . 1.22 112.016 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -22.04 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 1.98 111.352 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 1.7 110.774 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -84.2 130.73 34.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.999 -0.546 . . . . 1.49 110.254 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -40.19 60.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.677 -0.692 . . . . 2.37 111.072 176.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -67.05 147.11 53.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.731 -0.668 . . . . 2.71 111.127 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.683 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.1 mpt? -102.03 113.43 26.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.403 -0.817 . . . . 1.6 110.833 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -143.85 139.06 29.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 1.26 110.971 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD13 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -123.72 152.2 42.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.809 -0.632 . . . . 1.23 109.539 171.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.558 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 86.2 mtt180 -128.48 145.94 50.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.206 0.527 . . . . 2.99 111.323 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.655 HD21 ' CE2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -108.05 106.18 16.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.01 -0.996 . . . . 1.45 108.835 171.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.559 HG13 ' HB3' ' A' ' 47' ' ' LYS . 11.0 mm -88.88 100.22 10.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.87 -0.332 . . . . 1.24 110.211 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.74 152.64 50.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.769 -0.729 . . . . 0.37 112.457 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -62.78 153.67 32.14 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.726 0.774 . . . . 1.67 112.259 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 12.0 m -113.89 132.83 61.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.109 0 CA-C-N 114.369 -1.287 . . . . 2.1 109.502 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -75.58 89.65 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.247 0.546 . . . . 4.14 111.012 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -39.28 93.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.191 -0.913 . . . . 4.79 111.747 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.0 p -72.67 -25.17 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.194 -0.457 . . . . 4.96 111.235 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -95.07 -14.28 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.278 -0.419 . . . . 7.36 110.671 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HG3' ' HG3' ' A' ' 82' ' ' PRO . 41.1 mmtt -75.37 153.24 37.89 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.092 -0.504 . . . . 8.58 110.71 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -115.78 147.84 40.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.808 0.814 . . . . 11.45 112.355 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.448 ' CB ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.87 166.78 14.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.181 -1.372 . . . . 9.28 111.323 178.638 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -91.87 -166.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.863 -0.608 . . . . 8.74 109.841 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.497 ' ND2' ' HG2' ' A' ' 76' ' ' GLU . 4.6 p-10 -60.62 -31.4 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.47 0.544 . . . . 11.84 112.47 -171.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' HG2' ' ND2' ' A' ' 75' ' ' ASN . 59.6 mm-40 -98.19 23.17 8.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.246 -0.284 . . . . 11.2 111.729 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.62 38.84 94.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.638 -0.791 . . . . 8.99 111.188 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -51.33 -40.79 59.81 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.362 0.665 . . . . 9.0 112.073 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' H ' ' CB ' ' A' ' 73' ' ' LYS . 43.2 mt-10 53.26 64.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.449 -0.574 . . . . 8.38 109.449 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 m -76.22 141.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 5.78 111.251 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.05 121.38 81.93 Favored Pre-proline 0 N--CA 1.442 -0.857 0 N-CA-C 109.119 -0.697 . . . . 4.58 109.119 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.409 ' HG3' ' HG3' ' A' ' 71' ' ' LYS . 98.1 Cg_endo -81.73 171.31 13.35 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.02 2.48 . . . . 3.42 112.439 -174.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 58.1 pttt -82.43 118.64 72.59 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-O 121.549 0.69 . . . . 4.83 110.048 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.482 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 31.7 Cg_exo -64.66 140.05 66.42 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 C-N-CA 123.66 2.907 . . . . 1.13 112.869 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -73.79 115.54 13.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.638 -0.875 . . . . 2.53 108.638 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -124.55 155.1 39.59 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.281 0.563 . . . . 2.89 111.891 -172.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.538 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 83.6 m-70 -109.85 141.98 41.79 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.445 -0.946 . . . . 0.71 108.445 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.0 ttm -126.55 124.78 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.585 0.629 . . . . 1.33 111.676 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.655 ' CE2' HD21 ' A' ' 62' ' ' LEU . 2.2 m-85 -115.56 142.24 46.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.736 -0.666 . . . . 1.18 111.397 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.482 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 49.3 m -111.51 121.98 46.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.751 -0.659 . . . . 1.5 111.17 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.849 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 74.4 m-85 -111.95 178.45 4.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.975 -0.75 . . . . 0.4 108.975 173.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.683 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.0 p30 -136.0 28.01 3.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.301 0.572 . . . . 1.58 110.249 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.5 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 21.3 t-20 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.82 -0.808 . . . . 1.62 108.82 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.6 -27.48 55.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 4.27 110.47 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.5 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 80.9 m -66.38 -49.71 65.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 1.1 110.181 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.8 t -49.63 -51.56 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 115.746 -0.661 . . . . 1.07 110.31 170.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.655 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 7.1 mtp -44.6 -64.62 0.66 Allowed 'General case' 0 C--O 1.218 -0.555 0 O-C-N 123.648 0.592 . . . . 1.36 112.192 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.13 -36.14 72.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.673 0.273 . . . . 0.67 111.44 -173.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -70.6 -54.95 10.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 1.55 110.849 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.774 ' O ' HD11 ' A' ' 104' ' ' LEU . 47.1 mm -57.27 -46.22 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 1.07 109.81 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 45.0 mtpt -46.31 -64.39 0.77 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.329 0.585 . . . . 1.55 110.67 175.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtm -59.15 -47.98 83.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.644 -1.162 . . . . 1.92 112.067 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 107' ' ' ILE . 99.8 m -51.02 -51.56 51.87 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.343 0.592 . . . . 1.07 111.096 -177.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.774 HD11 ' O ' ' A' ' 100' ' ' ILE . 2.9 mp -72.73 -50.68 23.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.218 -0.901 . . . . 1.69 109.095 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.0 tm0? -50.63 -51.94 44.19 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.549 -1.205 . . . . 2.1 111.805 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 19.9 mm-40 -66.29 -42.77 87.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.289 -0.414 . . . . 2.91 112.082 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.542 HG23 ' HB2' ' A' ' 25' ' ' ALA . 66.2 mt -65.15 -41.36 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.321 -0.552 . . . . 1.16 110.1 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mt -53.0 -51.02 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 1.14 110.204 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.46 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 35.6 m -66.77 -25.32 66.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.315 -0.857 . . . . 1.9 111.795 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.498 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.1 mtt180 -67.02 -31.29 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 3.42 110.247 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.31 -15.35 40.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.396 0.617 . . . . 3.1 110.0 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 43.6 mttm -84.1 -46.55 11.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.505 -0.77 . . . . 2.18 110.58 175.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.49 -38.16 71.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.839 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.16 25.55 11.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.174 -1.375 . . . . 1.53 113.004 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.436 -0.792 . . . . 2.23 110.015 176.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.612 0.244 . . . . 3.79 111.232 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.434 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 5.3 p -70.43 -55.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.87 0.322 . . . . 3.18 111.87 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.56 -27.82 68.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.033 0.444 . . . . 4.1 109.909 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' B' ' 29' ' ' LYS . 7.0 m-20 -63.75 -44.55 93.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.522 -0.763 . . . . 2.67 110.268 177.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -56.57 -49.64 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.375 -0.83 . . . . 2.16 110.453 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.434 ' HD1' ' O ' ' B' ' 23' ' ' THR . 69.8 m-85 -67.43 -13.18 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 2.44 112.339 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 tp -94.88 -51.22 4.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.731 0.3 . . . . 2.97 110.799 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 21.0 ptmt -75.79 -30.99 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.402 0.519 . . . . 3.28 112.402 -172.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -65.05 -22.99 67.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.192 0.52 . . . . 1.24 110.711 -177.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.429 ' HE1' ' HB3' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -83.32 -19.75 35.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.934 -0.576 . . . . 1.02 110.201 -179.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -96.6 -34.74 11.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.724 -0.671 . . . . 3.92 110.689 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.485 ' O ' ' HG3' ' B' ' 37' ' ' GLN . 23.9 p -60.8 -48.58 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 2.15 111.351 -176.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -34.02 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.543 -0.298 . . . . 2.41 111.787 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.3 -30.71 69.77 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.573 -0.451 . . . . 3.14 110.083 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -28.4 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 2.58 110.409 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' B' ' 33' ' ' SER . 25.3 mt-30 -69.64 -35.55 75.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 4.0 111.418 -177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.98 -8.29 40.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.996 0.427 . . . . 3.22 110.486 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.93 -38.98 44.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.596 . . . . 4.79 110.424 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 CA-C-O 118.084 -1.398 . . . . 6.18 111.308 -179.452 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.47 ' HB2' ' O ' ' A' ' 4' ' ' SER . 6.9 Cg_endo . . . . . 0 N--CA 1.478 0.561 0 N-CA-C 110.203 -0.73 . . . . 4.35 110.203 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -128.32 -42.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.026 0.441 . . . . 1.99 110.923 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -81.37 -13.91 57.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 1.21 110.873 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.523 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 20.4 p -142.6 166.7 23.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.413 0.625 . . . . 0.91 112.384 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.28 148.53 6.4 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.595 -1.184 . . . . 0.17 110.535 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.67 119.3 11.54 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.377 0.608 . . . . 1.07 112.048 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.825 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -128.31 174.27 9.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.959 -1.019 . . . . 1.05 109.96 -177.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.49 137.26 55.74 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 116.392 -0.367 . . . . 1.08 110.086 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.4 t80 -148.42 129.16 14.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.088 -0.708 . . . . 0.45 109.088 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.5 mt-10 66.32 36.53 5.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.209 0.528 . . . . 1.33 111.01 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt 65.88 -2.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.903 -1.044 . . . . 2.85 113.094 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 13' ' ' SER . 1.9 p -101.35 148.46 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.84 -0.8 . . . . 1.04 108.84 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.62 ' HA ' HG13 ' A' ' 8' ' ' ILE . 6.9 m -100.52 153.78 19.09 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.793 -0.64 . . . . 1.8 111.71 -173.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.01 -148.78 6.67 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.909 -0.587 . . . . 0.22 112.376 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.609 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.7 146.2 27.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.849 -0.426 . . . . 1.05 109.849 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.25 133.38 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 107.267 -1.383 . . . . 1.06 107.267 171.073 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.32 106.54 5.24 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.325 0.491 . . . . 1.0 112.325 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 18' ' ' ILE . 2.9 mp -86.57 122.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.799 -0.445 . . . . 1.03 109.799 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -112.54 120.79 42.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.833 -0.622 . . . . 1.36 111.288 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 29.4 mt-10 -117.29 72.6 0.84 Allowed 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 107.758 -1.201 . . . . 1.47 107.758 167.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.09 -24.27 9.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 122.956 1.36 . . . . 3.67 108.367 165.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.71 -168.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 112.039 -2.346 . . . . 1.47 111.953 -161.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 12.2 p -73.31 169.91 16.13 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 105.9 -1.889 . . . . 1.72 105.9 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 53.0 Cg_exo -34.44 126.01 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.583 2.189 . . . . 0.69 113.621 -145.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.4 131.42 1.21 Allowed 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 113.641 -1.618 . . . . 1.1 112.448 -167.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -117.1 145.61 43.66 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.436 -0.505 . . . . 0.69 110.002 -176.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.31 129.71 48.82 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.488 -0.93 . . . . 1.22 108.488 179.31 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.4 m -121.91 108.29 13.26 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 116.118 -0.492 . . . . 1.06 110.786 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 82.3 t90 -87.06 126.31 34.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.952 -1.129 . . . . 0.22 107.952 171.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 0.3 OUTLIER -137.48 127.62 26.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.569 0.699 . . . . 2.49 111.528 179.375 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.48 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.2 p -57.94 151.58 17.98 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.958 -1.474 . . . . 0.97 110.687 -175.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.8 p -57.18 -27.07 61.61 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.563 -0.744 . . . . 1.28 112.391 -173.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.19 -29.15 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 2.57 110.83 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.82 5.12 58.73 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.025 -0.607 . . . . 1.41 112.23 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -82.93 -58.15 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.107 0.48 . . . . 2.64 111.561 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.651 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 9.4 tttt -88.29 119.57 28.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.599 . . . . 1.81 110.736 -175.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 30' ' ' ARG . 24.4 m -128.41 145.41 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.004 -0.739 . . . . 1.53 109.004 174.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.651 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 18.3 m-70 -140.13 125.33 18.74 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.616 -0.883 . . . . 0.38 108.616 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 124.38 51.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.466 0.65 . . . . 1.03 112.403 -169.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 45' ' ' ILE . 29.6 t -113.09 102.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.83 -1.077 . . . . 1.09 110.396 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.5 118.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.479 -0.563 . . . . 1.3 109.479 175.396 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 1.9 mm? -53.02 -28.19 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.969 1.1 . . . . 1.86 113.969 -172.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.6 t -65.9 -11.38 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 1.37 111.032 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -98.7 4.8 47.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 1.05 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.533 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 18.6 mm -100.26 137.25 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 121.406 0.622 . . . . 1.07 111.916 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 29.5 t70 -99.28 -46.14 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.157 -0.928 . . . . 0.7 110.767 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.468 ' HB3' HG13 ' A' ' 63' ' ' ILE . 48.2 tptt -137.28 171.18 14.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.155 0.502 . . . . 2.16 110.677 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -142.54 130.68 22.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.009 -0.737 . . . . 1.98 109.009 175.787 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.6 mm-40 -125.79 144.52 50.6 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.983 -0.553 . . . . 2.28 110.751 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -138.9 142.22 38.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 1.17 110.446 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.577 HG22 ' CH2' ' B' ' 30' ' ' TRP . 6.9 p -71.17 154.71 93.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.991 0.424 . . . . 1.15 111.779 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HG3' ' HG2' ' B' ' 34' ' ' GLU . 52.5 Cg_endo -65.27 148.27 88.46 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.409 2.74 . . . . 1.22 112.395 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -22.73 66.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 1.98 110.545 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 p -69.28 -20.93 63.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.691 -0.686 . . . . 1.7 110.896 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -93.66 142.35 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.478 -0.934 . . . . 1.49 108.478 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.589 ' O ' ' HE2' ' A' ' 58' ' ' MET . 4.5 tt0 -68.36 -46.93 68.77 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 120.797 -0.361 . . . . 2.37 111.142 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -72.52 101.46 2.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.707 0.765 . . . . 2.71 110.77 -170.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.7 ' HB2' ' SD ' ' A' ' 97' ' ' MET . 1.8 ptp -84.91 119.33 25.23 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.597 -1.183 . . . . 1.6 110.55 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.473 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 6.8 tpp -133.59 148.44 51.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.022 -0.99 . . . . 1.26 110.927 -167.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 HD12 ' CG ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -123.09 146.14 47.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.022 0.439 . . . . 1.23 110.241 170.347 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 93.7 mtt180 -119.55 143.73 47.45 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.702 -0.681 . . . . 2.99 111.09 172.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -109.55 103.06 11.87 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.69 -1.141 . . . . 1.45 107.998 174.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.468 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.3 mm -87.99 100.27 10.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.447 -0.575 . . . . 1.24 109.447 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.644 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -78.2 143.26 27.15 Favored Glycine 0 C--N 1.321 -0.265 0 C-N-CA 120.56 -0.828 . . . . 0.37 113.326 -173.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 15.8 mtpt -67.67 132.16 46.97 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.199 0.523 . . . . 1.67 109.856 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.562 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 1.8 p -118.4 105.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 115.559 -0.746 . . . . 2.1 111.258 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.557 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 9.4 p-10 -110.92 74.45 0.87 Allowed 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.969 -0.693 . . . . 4.14 111.736 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -89.84 -53.25 4.58 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.615 -0.678 . . . . 4.79 111.093 174.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.6 p -98.85 1.96 46.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.361 -0.836 . . . . 4.96 111.197 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 67' ' ' ASP . 10.2 mptt -82.62 12.25 4.87 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.705 0.764 . . . . 7.36 111.947 -163.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -51.32 164.84 0.17 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.018 -1.446 . . . . 8.58 108.82 159.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 169.5 0.09 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.595 0.591 . . . . 11.45 112.595 -167.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HE2' ' HB2' ' A' ' 79' ' ' GLU . 94.0 mttt -64.0 148.49 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.576 0.703 . . . . 9.28 111.59 -165.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' HB3' ' CG ' ' A' ' 78' ' ' ASN . 36.5 t0 -77.76 -176.28 4.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.558 -1.201 . . . . 8.74 110.151 -176.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -56.31 -32.36 64.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.039 0.755 . . . . 11.84 113.039 -172.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -94.52 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 11.2 111.2 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.47 45.9 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.263 -0.735 . . . . 8.99 111.263 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.413 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 2.5 m-20 -55.4 -59.2 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.387 0.514 . . . . 9.0 112.387 -174.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HB2' ' HE2' ' A' ' 73' ' ' LYS . 2.0 tt0 53.93 75.58 0.27 Allowed 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 107.767 -1.197 . . . . 8.38 107.767 -167.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 m -74.8 127.33 36.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.307 -0.86 . . . . 5.78 111.495 -162.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -67.84 124.08 88.58 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 4.58 110.711 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.423 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 73.4 Cg_endo -81.11 134.52 9.3 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.851 2.368 . . . . 3.42 114.044 -175.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 88.0 mttt -104.36 102.34 32.67 Favored Pre-proline 0 N--CA 1.444 -0.742 0 CA-C-O 122.024 0.916 . . . . 4.83 109.574 167.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.644 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 40.7 Cg_exo -63.87 150.98 87.2 Favored 'Trans proline' 0 C--N 1.318 -1.028 1 C-N-CA 125.443 4.096 . . . . 1.13 115.88 -173.674 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -91.67 125.15 36.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.363 -1.347 . . . . 2.53 107.363 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -120.02 161.65 20.57 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.072 0.767 . . . . 2.89 113.072 -169.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 26.8 m-70 -111.12 155.85 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.236 -1.024 . . . . 0.71 108.236 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttm -139.45 127.23 22.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.721 -0.392 . . . . 1.33 110.784 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.88 145.99 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 1.18 110.561 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.516 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.8 m -111.02 129.09 56.01 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.88 -0.6 . . . . 1.5 111.702 -174.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.825 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 77.1 m-85 -113.89 177.46 4.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.284 0.564 . . . . 0.4 110.386 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -134.62 22.61 3.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.236 -0.893 . . . . 1.58 110.348 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -145.64 127.92 15.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.939 -0.573 . . . . 1.62 110.064 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.483 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 30.7 mmt180 -62.67 -46.15 89.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.288 -0.869 . . . . 4.27 111.186 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.2 m -57.05 -49.64 75.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 1.1 110.59 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -50.06 -58.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 1.07 111.661 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.7 ' SD ' ' HB2' ' A' ' 58' ' ' MET . 4.1 ptm -59.5 -42.44 92.17 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.48 0.657 . . . . 1.36 111.668 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.655 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -65.89 -42.7 89.94 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.208 -0.905 . . . . 0.67 111.777 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.78 -48.56 58.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.724 -0.473 . . . . 1.55 109.724 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 mm -56.91 -37.42 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 1.07 110.164 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 4.0 mtmm -52.46 -65.08 0.62 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.394 0.616 . . . . 1.55 110.155 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.463 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 38.2 ttp -56.38 -45.68 80.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.307 -1.315 . . . . 1.92 111.9 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 107' ' ' ILE . 52.3 m -52.98 -52.38 58.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 1.07 111.219 178.139 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.3 -51.92 26.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.467 0.651 . . . . 1.69 111.221 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.538 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -51.49 -46.61 63.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.272 -1.331 . . . . 2.1 111.742 -176.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.463 ' NE2' ' HG2' ' A' ' 102' ' ' MET . 49.0 mt-30 -62.13 -50.58 71.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.313 0.101 . . . . 2.91 111.075 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.557 HG23 ' CE2' ' A' ' 111' ' ' TYR . 59.1 mt -57.62 -42.48 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.102 -0.333 . . . . 1.16 110.102 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 67.6 mt -54.11 -55.94 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 1.14 110.835 172.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 41.1 m -60.7 -30.15 69.77 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.312 -0.858 . . . . 1.9 111.43 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.493 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 92.2 mtt180 -69.81 -24.98 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 3.42 111.123 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.557 ' CE2' HG23 ' A' ' 107' ' ' ILE . 24.7 m-85 -92.33 -16.64 25.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.155 0.503 . . . . 3.1 110.129 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 32.7 mttm -74.83 -53.73 8.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 2.18 110.459 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.95 -29.85 35.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.561 0.696 . . . . 1.6 109.698 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.75 20.41 6.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.108 -1.405 . . . . 1.53 111.596 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.77 -0.634 . . . . 2.23 109.796 176.205 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.802 0.334 . . . . 3.79 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -84.14 -51.3 7.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.825 0.345 . . . . 3.18 111.364 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.04 -27.72 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.298 0.571 . . . . 4.1 109.971 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.54 -31.66 71.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 2.67 110.764 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.64 -29.62 70.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 2.16 110.063 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.615 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 59.2 m-85 -69.96 -12.19 61.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.515 -0.766 . . . . 2.44 111.532 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -84.76 -49.95 8.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.889 0.376 . . . . 2.97 110.306 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -66.82 -42.9 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.258 0.466 . . . . 3.28 112.258 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.615 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 3.2 p-90 -66.0 -17.94 65.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.23 0.538 . . . . 1.24 110.62 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.473 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 1.0 OUTLIER -86.71 -46.87 9.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.784 -0.644 . . . . 1.02 110.254 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -22.08 47.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 3.92 111.535 -176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 53.2 m -62.4 -37.8 87.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 2.15 110.059 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' HG2' ' HG3' ' A' ' 52' ' ' PRO . 18.1 tp10 -66.84 -41.8 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.97 -0.559 . . . . 2.41 109.845 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' B' ' 39' ' ' MET . 41.8 tt0 -61.19 -42.66 98.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 3.14 110.229 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.17 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 2.58 110.693 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.32 -31.6 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 4.0 111.099 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.6 -30.53 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 3.22 110.727 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 25.9 mmt -79.34 -21.88 45.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.905 -0.589 . . . . 4.79 111.05 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.571 -1.127 . . . . 6.18 112.258 178.168 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.481 0.751 0 N-CA-C 110.994 -0.425 . . . . 4.35 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p 56.31 175.15 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.821 0.848 . . . . 1.99 112.348 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.451 ' HA ' HG22 ' A' ' 103' ' ' THR . 63.5 m80 68.09 -15.99 0.2 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.76 1.022 . . . . 1.21 113.76 173.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.8 p -148.11 163.46 36.87 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.568 0.699 . . . . 0.91 112.524 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.04 150.91 7.11 Favored Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 114.312 -1.313 . . . . 0.17 110.337 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.595 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.1 119.15 11.55 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.311 0.577 . . . . 1.07 111.673 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.735 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -127.51 172.88 10.31 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.176 -0.92 . . . . 1.05 110.107 -177.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.604 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -130.33 138.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 110.293 -0.262 . . . . 1.08 110.293 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.643 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 46.2 t80 -150.55 132.96 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 0.45 109.032 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.643 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.3 mt-10 64.86 36.07 8.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.278 0.561 . . . . 1.33 111.058 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 62.82 8.3 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.835 -1.075 . . . . 2.85 113.158 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.524 HG21 ' N ' ' A' ' 13' ' ' SER . 1.7 p -111.87 148.44 15.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.505 -0.924 . . . . 1.04 108.505 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.604 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 m -95.21 157.08 16.05 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.311 0.577 . . . . 1.8 111.595 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -172.63 -150.88 7.59 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.521 -0.763 . . . . 0.22 111.788 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.595 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.4 145.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.651 -0.5 . . . . 1.05 109.651 173.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.51 128.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 107.075 -1.454 . . . . 1.06 107.075 170.006 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.38 110.03 6.68 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.951 0.405 . . . . 1.0 111.511 -171.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.567 ' CD1' HD12 ' A' ' 104' ' ' LEU . 3.4 mp -91.97 126.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.225 0.536 . . . . 1.03 110.522 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.33 127.15 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.29 -0.868 . . . . 1.36 110.842 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -122.08 72.16 1.03 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.509 -1.293 . . . . 1.47 107.509 166.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.73 -22.13 10.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.044 1.402 . . . . 3.67 108.338 167.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.1 m -108.0 -169.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 112.05 -2.341 . . . . 1.47 111.572 -161.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.7 m -72.55 170.19 14.11 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 105.348 -2.093 . . . . 1.72 105.348 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' HB2' HG23 ' A' ' 41' ' ' VAL . 72.3 Cg_exo -34.02 127.08 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.632 2.221 . . . . 0.69 113.736 -147.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.482 ' HB2' HG22 ' A' ' 107' ' ' ILE . . . -38.12 138.05 0.47 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 113.474 -1.694 . . . . 1.1 112.575 -167.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 2.8 mt-10 -122.71 148.48 45.26 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.251 0.548 . . . . 0.69 110.35 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.9 OUTLIER -103.12 126.77 50.45 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.275 -0.875 . . . . 1.22 108.759 177.659 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.3 m -115.96 108.09 15.81 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.794 -0.362 . . . . 1.06 111.178 -172.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' VAL . 84.4 t90 -88.0 120.93 29.83 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.463 -0.94 . . . . 0.22 108.463 170.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.4 ptt180 -132.83 124.03 27.22 Favored 'General case' 0 N--CA 1.427 -1.586 0 C-N-CA 119.2 -1.0 . . . . 2.49 111.614 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.439 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.2 p -57.45 147.89 25.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.233 -1.803 . . . . 0.97 109.995 -174.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 HG22 ' HA2' ' A' ' 14' ' ' GLY . 21.8 p -55.53 -25.14 35.86 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.886 0.742 . . . . 1.28 112.349 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.61 -25.24 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 2.57 111.093 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.78 4.81 61.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.872 -0.68 . . . . 1.41 112.303 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.33 -56.84 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.339 . . . . 2.64 111.378 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 11.1 mttp -86.98 136.52 32.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.433 -0.349 . . . . 1.81 111.404 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 30' ' ' ARG . 7.9 t -146.3 117.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.497 -0.927 . . . . 1.53 108.497 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -122.17 118.93 29.83 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.356 -0.609 . . . . 0.38 109.356 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -109.23 128.5 55.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.644 0.735 . . . . 1.03 111.889 -171.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.9 t -116.7 101.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.861 -1.063 . . . . 1.09 110.683 -175.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.28 114.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.312 -0.625 . . . . 1.3 109.312 175.503 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -52.33 -23.28 5.58 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.88 1.437 . . . . 1.86 114.88 -172.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -69.18 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.308 0.504 . . . . 1.37 112.016 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.9 p -94.05 -2.22 53.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.505 0.669 . . . . 1.05 109.763 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.552 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 23.1 mm -100.18 146.16 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 CA-C-N 115.059 -0.973 . . . . 1.07 111.4 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -100.57 -45.97 5.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.21 -0.905 . . . . 0.7 110.397 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.8 tmtp? -144.98 174.49 10.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 2.16 110.392 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.64 155.23 43.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.819 -0.628 . . . . 1.98 109.69 167.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -148.07 168.45 22.35 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.576 -0.738 . . . . 2.28 110.071 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -144.8 166.97 23.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.164 -0.471 . . . . 1.17 110.06 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 59' ' ' MET . 1.1 p -68.7 146.74 97.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.599 0.237 . . . . 1.15 110.721 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.76 133.15 56.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.665 2.243 . . . . 1.22 111.626 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.95 -17.54 57.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 1.98 111.852 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 p -70.19 -17.53 63.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 1.7 110.729 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -105.4 142.04 35.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.781 -0.645 . . . . 1.49 109.473 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 58' ' ' MET . 45.2 tp10 -67.68 -27.99 67.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 2.37 110.444 174.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -60.76 139.94 57.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.709 -0.678 . . . . 2.71 110.372 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.481 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 35.1 mtm -124.64 112.97 17.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.678 -0.692 . . . . 1.6 111.166 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.451 ' HB3' HG22 ' A' ' 51' ' ' THR . 13.8 tpp -148.79 136.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.337 -0.847 . . . . 1.26 110.266 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.68 148.85 32.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.405 -0.591 . . . . 1.23 109.405 173.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -117.2 147.34 42.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.196 0.522 . . . . 2.99 110.697 174.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 2.3 mm? -113.69 104.02 11.81 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.757 -1.201 . . . . 1.45 107.757 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.554 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.7 mm -87.92 97.26 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 N-CA-C 108.386 -0.968 . . . . 1.24 108.386 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.552 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -75.76 163.8 53.66 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.813 -0.708 . . . . 0.37 111.737 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -61.78 163.69 7.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.851 0.834 . . . . 1.67 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 83' ' ' LYS . 25.6 m -100.91 140.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 114.657 -1.156 . . . . 2.1 112.853 -161.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.7 77.13 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.99 -1.005 . . . . 4.14 110.686 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -1.51 57.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.157 -0.929 . . . . 4.79 111.487 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 p -76.45 -40.02 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.298 1.222 . . . . 4.96 114.298 -167.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -110.81 -41.18 4.33 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.88 1.067 . . . . 7.36 113.88 -172.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -98.03 116.36 30.09 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 122.158 -0.338 . . . . 8.58 110.306 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.736 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 45.4 mtp180 -138.82 99.86 3.9 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 114.792 1.404 . . . . 11.45 114.792 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.608 ' H ' HG23 ' A' ' 81' ' ' VAL . 67.1 mmtt -155.9 122.95 5.35 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.217 1.407 . . . . 9.28 109.107 164.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.461 ' HB3' ' H ' ' A' ' 78' ' ' ASN . 37.5 t70 -88.02 -178.11 5.91 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.724 -0.473 . . . . 8.74 109.724 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.14 -29.71 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.443 0.565 . . . . 11.84 109.887 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -91.45 2.56 56.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.539 0.685 . . . . 11.2 109.994 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 61.53 37.54 94.32 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.132 -0.94 . . . . 8.99 112.102 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 80' ' ' VAL . 7.8 t-20 -63.25 -2.09 1.29 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.887 0.375 . . . . 9.0 111.301 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.736 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 46.9 mt-10 68.3 46.05 1.14 Allowed 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 123.5 0.72 . . . . 8.38 110.442 -175.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -137.89 134.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.645 -1.161 . . . . 5.78 110.033 172.501 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.608 HG23 ' H ' ' A' ' 73' ' ' LYS . 30.0 t -130.63 105.04 15.72 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 109.257 -0.646 . . . . 4.58 109.257 167.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -86.8 112.65 1.0 Allowed 'Trans proline' 0 N--CA 1.423 -2.643 0 CA-C-O 121.856 0.69 . . . . 3.42 111.002 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 77.1 mttt -111.79 107.2 56.48 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 114.45 -1.25 . . . . 4.83 111.19 174.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.537 ' N ' HG13 ' A' ' 66' ' ' VAL . 11.4 Cg_exo -71.69 139.64 34.25 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 123.479 2.786 . . . . 1.13 111.193 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -91.49 111.1 22.46 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.174 -0.61 . . . . 2.53 109.648 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.581 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.7 mtm180 -104.31 139.51 39.19 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 113.415 0.894 . . . . 2.89 113.415 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 46.3 m-70 -116.41 145.85 42.95 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.106 -1.407 . . . . 0.71 107.343 171.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.453 ' HE2' ' HB3' ' B' ' 27' ' ' PHE . 33.1 ttm -131.34 129.31 41.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.248 -0.581 . . . . 1.33 110.919 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 40.5 m-85 -128.03 138.04 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 1.18 110.562 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.516 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.1 t -105.86 135.45 47.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.357 -0.238 . . . . 1.5 110.357 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 49.8 m-85 -112.92 177.26 4.69 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.417 -0.586 . . . . 0.4 109.417 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -133.49 33.72 3.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.644 -0.707 . . . . 1.58 110.027 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -156.82 134.11 10.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.533 -0.758 . . . . 1.62 110.195 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.481 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -70.84 -40.2 72.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.666 -0.697 . . . . 4.27 111.54 -173.61 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.1 m -65.04 -46.24 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.336 -0.393 . . . . 1.1 110.523 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.429 ' O ' HG12 ' A' ' 100' ' ' ILE . 45.3 t -48.42 -55.11 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 1.07 110.493 172.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.48 ' HG3' ' HG2' ' A' ' 58' ' ' MET . 47.2 mmm -43.9 -57.19 3.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 123.546 0.529 . . . . 1.36 112.171 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.562 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.2 t70 -67.51 -40.98 85.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.524 . . . . 0.67 111.764 -174.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -69.57 -45.81 67.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.261 -0.427 . . . . 1.55 110.288 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.784 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -61.17 -44.77 98.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.286 -0.635 . . . . 1.07 109.286 173.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.598 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 40.8 mtmt -48.68 -59.24 3.7 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.897 0.38 . . . . 1.55 110.439 173.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 mtm -58.48 -48.82 79.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 1.92 112.079 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 3' ' ' HIS . 94.2 m -55.12 -52.51 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 1.07 111.193 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.7 mp -67.43 -49.84 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.032 -0.729 . . . . 1.69 109.032 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -52.47 -49.69 64.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.177 -0.92 . . . . 2.1 112.362 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.46 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.0 mt-30 -61.46 -49.5 76.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.631 0.253 . . . . 2.91 111.094 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.512 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 82.9 mt -62.78 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 1.16 111.17 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 72.4 mt -60.19 -45.26 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 1.14 110.31 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -58.43 -33.92 70.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 1.9 110.883 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.512 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.6 mtt180 -64.96 -36.89 85.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 3.42 111.163 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -89.72 -15.91 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.776 0.798 . . . . 3.1 109.474 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 108' ' ' ILE . 25.1 tttm -72.28 -52.25 17.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.513 -1.221 . . . . 2.18 109.699 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.79 -34.67 69.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.493 -0.776 . . . . 1.6 109.642 174.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.94 19.86 5.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.162 -1.381 . . . . 1.53 112.41 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.13 -0.938 . . . . 2.23 110.113 177.058 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.753 0.279 . . . . 3.79 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.419 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 7.3 t -77.38 -25.81 51.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.146 -0.346 . . . . 3.18 111.49 -174.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -62.31 -25.72 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.877 -0.786 . . . . 4.1 108.877 172.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.39 -34.99 41.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.381 -0.827 . . . . 2.67 109.36 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -63.4 -31.75 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.551 -0.749 . . . . 2.16 110.028 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.799 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 12.9 m-85 -72.33 -14.76 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.62 -0.718 . . . . 2.44 111.47 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.4 mt -84.15 -27.7 27.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.533 -0.303 . . . . 2.97 110.437 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -86.82 -40.45 14.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.27 0.47 . . . . 3.28 112.27 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.799 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 28.7 p-90 -65.2 -28.04 69.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 119.959 -0.696 . . . . 1.24 109.729 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -60.95 -46.2 91.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.806 . . . . 1.02 109.964 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -74.0 -27.1 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 3.92 110.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -66.09 -48.02 72.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.963 -0.562 . . . . 2.15 110.422 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.91 -25.58 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.56 -0.291 . . . . 2.41 110.763 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.64 -31.57 69.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.43 . . . . 3.14 110.427 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.9 -23.54 67.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.58 111.339 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -48.85 77.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 4.0 109.684 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.46 -29.02 56.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.152 0.501 . . . . 3.22 110.969 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.76 -43.03 57.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 4.79 111.28 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.947 -0.918 . . . . 6.18 112.246 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 N--CA 1.478 0.604 0 N-CA-C 110.262 -0.707 . . . . 4.35 110.262 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -82.58 -59.37 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.249 0.547 . . . . 1.99 110.932 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -89.69 8.26 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.565 -0.743 . . . . 1.21 111.41 -175.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.9 p -159.63 165.32 32.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.395 0.617 . . . . 0.91 111.836 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.5 148.7 6.2 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 114.699 -1.137 . . . . 0.17 110.695 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.66 116.16 7.29 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.461 0.648 . . . . 1.07 111.445 -173.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.79 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.82 174.53 8.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.793 -1.094 . . . . 1.05 110.194 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.615 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -130.89 138.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 110.064 -0.347 . . . . 1.08 110.064 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.2 t80 -148.96 128.98 13.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.931 -0.766 . . . . 0.45 108.931 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 65.46 41.58 4.15 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.127 0.489 . . . . 1.33 110.994 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 66.73 -8.23 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.064 -0.971 . . . . 2.85 113.336 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -101.49 147.9 7.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.978 0.418 . . . . 1.04 109.879 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.615 ' HA ' HG13 ' A' ' 8' ' ' ILE . 17.5 t -98.13 154.47 17.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.514 -0.766 . . . . 1.8 111.698 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.82 -145.85 5.49 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.748 -1.115 . . . . 0.22 111.621 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.579 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.2 145.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.807 -0.442 . . . . 1.05 109.807 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.21 131.35 47.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 107.093 -1.447 . . . . 1.06 107.093 169.449 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 121.71 15.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.572 0.225 . . . . 1.0 111.267 -171.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.64 ' CD1' HD12 ' A' ' 104' ' ' LEU . 2.7 mp -97.11 124.66 50.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.999 0.904 . . . . 1.03 111.92 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.499 ' ND2' HG22 ' A' ' 22' ' ' VAL . 65.9 t30 -94.56 146.03 24.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.751 -1.568 . . . . 1.36 109.658 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.745 ' O ' HG21 ' A' ' 22' ' ' VAL . 36.8 mt-10 -119.8 -146.58 0.38 Allowed 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 105.966 -1.864 . . . . 1.47 105.966 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -37.53 29.82 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 131.248 3.819 . . . . 3.67 118.397 -143.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.745 HG21 ' O ' ' A' ' 20' ' ' GLU . 33.6 m -94.99 -168.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 113.762 -1.563 . . . . 1.47 106.855 171.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.3 m -70.69 159.13 86.21 Favored Pre-proline 0 C--N 1.308 -1.206 0 N-CA-C 105.585 -2.006 . . . . 1.72 105.585 -177.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.513 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 69.6 Cg_exo -34.26 125.47 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.055 . . . . 0.69 113.928 -144.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 107' ' ' ILE . . . -33.85 127.53 0.39 Allowed 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.497 1.748 . . . . 1.1 111.523 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.49 140.58 48.61 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.427 -0.509 . . . . 0.69 110.054 -170.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.441 HD11 HD12 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -102.32 129.31 48.72 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.94 -0.763 . . . . 1.22 108.94 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.7 m -119.79 107.74 13.55 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.027 -0.533 . . . . 1.06 111.058 -172.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.9 t90 -89.45 124.96 34.96 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.177 -1.046 . . . . 0.22 108.177 169.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 2.2 ptt180 -133.93 135.19 43.41 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.204 0.526 . . . . 2.49 110.484 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.473 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.5 p -65.16 161.65 18.7 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.835 -1.075 . . . . 0.97 110.714 -172.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -60.9 -18.66 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 1.28 111.615 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.12 -29.31 21.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.153 0.501 . . . . 2.57 110.68 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.04 60.42 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.886 -0.673 . . . . 1.41 112.562 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.85 -56.39 9.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 2.64 110.655 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 6.2 mttt -79.64 120.28 23.75 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.761 -0.654 . . . . 1.81 110.557 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.49 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.3 t -137.51 118.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.666 -0.864 . . . . 1.53 108.666 178.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.45 ' O ' ' HA ' ' A' ' 28' ' ' THR . 17.0 m-70 -121.84 123.39 41.66 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.383 -0.599 . . . . 0.38 109.383 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.8 117.58 32.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.674 0.749 . . . . 1.03 111.933 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.48 100.53 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.753 -1.112 . . . . 1.09 109.627 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.12 115.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.571 -1.27 . . . . 1.3 107.571 174.444 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 49.8 mt -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 114.364 1.246 . . . . 1.86 114.364 -160.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.513 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 26.9 m -63.37 5.7 0.16 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.377 0.99 . . . . 1.37 112.924 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -102.08 -1.33 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 1.05 110.121 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.517 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.2 mm -95.14 144.67 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.685 -0.689 . . . . 1.07 110.635 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.51 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.5 t70 -108.07 -41.36 4.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.727 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.518 ' HB3' HG13 ' A' ' 63' ' ' ILE . 3.9 mmtp -133.98 174.62 10.28 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.728 0.775 . . . . 2.16 111.682 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HB3' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -146.44 134.48 21.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.813 -1.085 . . . . 1.98 108.567 176.174 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.48 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.7 mm-40 -131.73 147.94 52.54 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.239 -0.437 . . . . 2.28 110.24 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.525 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -135.36 153.95 51.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.441 -0.345 . . . . 1.17 110.11 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 p -64.28 141.93 98.23 Favored Pre-proline 0 C--O 1.236 0.389 0 CA-C-N 116.453 -0.339 . . . . 1.15 111.503 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.87 142.1 75.84 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.201 2.601 . . . . 1.22 112.165 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -16.96 64.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.669 . . . . 1.98 112.004 -175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -72.74 -22.21 60.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.324 0.583 . . . . 1.7 110.445 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -89.52 136.36 33.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.427 -0.806 . . . . 1.49 110.083 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 29.4 tt0 -70.05 -32.32 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.37 109.642 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 32.5 mtmm -65.12 145.73 55.91 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.309 -0.859 . . . . 2.71 110.272 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -129.93 115.56 17.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.694 -0.685 . . . . 1.6 111.026 -169.33 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.4 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 10.4 tpp -147.2 140.9 25.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 1.26 111.023 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -116.43 149.27 39.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.3 -0.409 . . . . 1.23 110.112 171.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 98.1 mtt180 -120.67 133.53 55.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.953 -0.567 . . . . 2.99 111.222 173.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.74 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -97.54 102.16 13.86 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.824 -1.08 . . . . 1.45 109.21 169.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.518 HG13 ' HB3' ' A' ' 47' ' ' LYS . 12.8 mm -87.02 100.7 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 118.445 0.566 . . . . 1.24 110.068 -174.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -60.18 169.8 7.49 Favored Glycine 0 N--CA 1.447 -0.619 0 O-C-N 123.565 0.54 . . . . 0.37 112.379 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.51 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 68.4 mttt -68.74 162.36 26.39 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 114.45 1.278 . . . . 1.67 114.45 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.577 ' CG1' ' HG3' ' A' ' 84' ' ' PRO . 3.1 m -103.79 -176.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 112.714 -2.039 . . . . 2.1 112.044 -165.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.517 ' HA ' ' HG2' ' A' ' 82' ' ' PRO . 22.7 t70 -51.39 92.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 122.393 1.092 . . . . 4.14 110.949 -175.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' H ' ' HG2' ' A' ' 82' ' ' PRO . 10.2 mm-40 -82.68 6.42 17.98 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 113.599 -1.637 . . . . 4.79 112.092 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -50.76 3.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.26 1.208 . . . . 4.96 114.26 -178.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 68' ' ' GLU . 22.5 mttt -64.53 -33.66 76.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.305 -1.368 . . . . 7.36 107.305 167.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -85.02 160.67 19.98 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.122 -1.399 . . . . 8.58 110.366 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -60.72 168.91 2.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.257 0.836 . . . . 11.45 113.257 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 78' ' ' ASN . 8.8 mtmp? -69.79 170.6 10.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.41 -1.268 . . . . 9.28 110.604 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' CG ' ' H ' ' A' ' 75' ' ' ASN . 6.2 t70 -67.89 -168.95 0.11 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.225 -0.443 . . . . 8.74 111.701 -172.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.449 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 37.9 m-80 -62.35 -34.7 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.246 0.462 . . . . 11.84 112.246 -170.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -99.26 21.45 11.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.474 0.654 . . . . 11.2 110.005 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.25 28.59 73.73 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.306 -0.861 . . . . 8.99 112.104 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.456 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 6.2 m-20 -63.98 117.89 7.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.296 0.57 . . . . 9.0 110.228 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.71 64.89 0.48 Allowed 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 114.389 -1.278 . . . . 8.38 109.913 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.4 m -77.21 147.95 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 5.78 110.402 -174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 4.3 p -118.48 102.95 49.67 Favored Pre-proline 0 N--CA 1.439 -1.005 0 N-CA-C 109.082 -0.71 . . . . 4.58 109.082 171.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.517 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 32.5 Cg_endo -84.78 123.21 2.79 Favored 'Trans proline' 0 N--CA 1.438 -1.772 0 C-N-CA 122.27 1.98 . . . . 3.42 113.081 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 33.2 mtmm -103.02 150.64 38.02 Favored Pre-proline 0 C--N 1.309 -1.19 0 CA-C-N 113.799 -1.546 . . . . 4.83 108.558 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.577 ' HG3' ' CG1' ' A' ' 66' ' ' VAL . 35.4 Cg_exo -60.18 122.7 11.78 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.473 2.116 . . . . 1.13 110.777 -175.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -93.35 110.88 22.42 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 109.064 -0.717 . . . . 2.53 109.064 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.74 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.7 ptt180 -107.04 144.39 33.76 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 119.63 -0.828 . . . . 2.89 111.502 -173.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.554 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 85.2 m-70 -111.96 129.71 56.09 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.381 -1.281 . . . . 0.71 108.228 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.485 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 23.1 ttm -116.61 126.84 53.83 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.653 -0.419 . . . . 1.33 111.213 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 14.5 m-85 -128.19 136.38 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 1.18 110.58 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 6.6 t -99.03 135.88 39.8 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.481 -0.327 . . . . 1.5 110.675 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.79 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.4 m-85 -112.71 178.06 4.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.11 0.481 . . . . 0.4 110.188 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.08 26.56 5.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.824 . . . . 1.58 110.312 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.556 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.2 t-20 -158.86 131.52 6.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.022 -0.535 . . . . 1.62 109.831 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 97' ' ' MET . 9.7 mpt_? -72.74 -33.74 66.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.129 -0.487 . . . . 4.27 110.956 -174.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.556 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 94.2 m -61.75 -50.55 71.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 1.1 109.966 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -48.63 -52.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.382 -0.826 . . . . 1.07 110.89 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 5.1 mtp -43.49 -57.78 2.93 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 112.485 0.55 . . . . 1.36 112.485 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.3 t70 -65.92 -38.86 89.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.246 -0.434 . . . . 0.67 111.239 -174.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -52.42 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.723 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.787 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.3 mm -60.06 -41.17 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 1.07 109.571 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.644 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 17.9 mtmt -49.85 -64.46 0.8 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.422 0.63 . . . . 1.55 110.608 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.5 ttm -58.73 -51.01 71.78 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.654 -1.157 . . . . 1.92 111.938 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 68.0 m -48.58 -50.31 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.514 0.508 . . . . 1.07 111.615 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.7 mp -73.95 -50.54 19.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.548 0.69 . . . . 1.69 109.368 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.644 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -57.74 -42.7 84.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.414 -1.266 . . . . 2.1 112.076 -176.343 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.91 -46.0 86.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.309 0.1 . . . . 2.91 111.177 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 25' ' ' ALA . 91.4 mt -57.23 -45.55 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 1.16 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.831 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 65.0 mt -56.25 -55.15 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 115.492 -0.776 . . . . 1.14 110.779 175.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 19.8 m -59.45 -23.73 62.95 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.716 -0.675 . . . . 1.9 111.061 -178.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -75.66 -35.79 60.31 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 116.106 -0.497 . . . . 3.42 110.794 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.831 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 -92.09 5.3 50.78 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.301 -0.56 . . . . 3.1 111.29 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 36.6 mttm -89.68 -51.78 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 2.18 109.848 169.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.99 -38.09 79.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.491 -0.777 . . . . 1.6 110.124 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.47 17.85 11.04 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.438 -1.255 . . . . 1.53 112.689 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.383 -0.818 . . . . 2.23 109.757 177.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.588 0.232 . . . . 3.79 111.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -65.67 -53.8 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.822 0.304 . . . . 3.18 111.822 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -66.84 -31.68 72.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 4.1 109.923 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -38.57 88.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 2.67 110.663 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 2.16 111.696 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.778 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 80.6 m-85 -63.76 -34.06 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 2.44 110.959 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -75.02 -18.12 60.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 2.97 110.254 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 11.5 mmpt? -86.42 -48.74 8.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.134 -0.484 . . . . 3.28 111.049 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.778 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 39.9 p-90 -74.54 -33.41 62.74 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.509 -0.477 . . . . 1.24 111.059 -175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.485 ' HZ3' ' SD ' ' A' ' 88' ' ' MET . 1.8 t-105 -64.15 -47.35 80.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.02 110.738 -176.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -76.47 -29.41 56.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 3.92 111.472 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.28 -43.76 97.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 2.15 110.467 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.12 -32.6 56.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 2.41 110.657 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 3.14 110.276 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.17 -8.43 59.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 2.58 111.121 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -81.7 -45.96 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 4.0 110.546 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.46 -42.83 14.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 3.22 110.769 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 52.2 mtm 60.16 70.15 0.65 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.409 0.443 . . . . 4.79 110.777 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.583 -1.121 . . . . 6.18 112.012 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo . . . . . 0 N--CA 1.479 0.637 0 N-CA-C 110.725 -0.529 . . . . 4.35 110.725 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p 61.71 156.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.393 1.077 . . . . 1.99 112.588 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' HA ' HG21 ' A' ' 103' ' ' THR . 43.1 m80 64.9 -7.06 0.29 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.316 -0.856 . . . . 1.21 113.163 175.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.617 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.9 p -157.24 165.97 34.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.306 0.574 . . . . 0.91 111.779 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.56 149.31 6.22 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.578 -1.192 . . . . 0.17 110.501 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.53 118.27 9.9 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.239 0.542 . . . . 1.07 111.719 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.864 ' HB1' ' CE1' ' A' ' 91' ' ' PHE . . . -126.79 172.12 10.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.145 -0.934 . . . . 1.05 110.448 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.62 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.54 135.04 59.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.392 -0.596 . . . . 1.08 109.392 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -140.68 119.11 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.45 110.586 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 52.53 58.19 5.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.375 -0.829 . . . . 1.33 112.131 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 4.1 mptt 70.36 14.57 7.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.328 -1.305 . . . . 2.85 113.731 170.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.412 HG11 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -132.76 148.49 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 1.04 110.274 171.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.62 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.5 t -100.84 154.57 18.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.709 -0.678 . . . . 1.8 112.1 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.98 -145.23 5.62 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.039 -0.982 . . . . 0.22 112.132 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.582 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.74 147.2 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.231 0.612 . . . . 1.05 109.736 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.87 131.87 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.4 -1.333 . . . . 1.06 107.4 169.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.88 119.15 12.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.422 0.153 . . . . 1.0 111.264 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.602 ' CD1' HD13 ' A' ' 104' ' ' LEU . 2.4 mp -95.03 128.09 46.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.317 1.056 . . . . 1.03 112.746 -173.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.6 m-20 -89.66 150.17 22.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.239 -1.801 . . . . 1.36 110.645 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.642 ' O ' HG23 ' A' ' 22' ' ' VAL . 41.2 mt-10 -117.08 -133.07 0.33 Allowed 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 126.838 2.055 . . . . 1.47 108.261 -173.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.86 24.21 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 129.562 3.145 . . . . 3.67 116.34 -167.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 20' ' ' GLU . 32.3 m -96.11 -167.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.672 0 N-CA-C 105.866 -1.902 . . . . 1.47 105.866 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -70.49 152.76 95.36 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 106.039 -1.837 . . . . 1.72 106.039 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.446 ' HB2' HG22 ' A' ' 41' ' ' VAL . 85.4 Cg_exo -34.5 126.09 0.2 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.78 2.32 . . . . 0.69 113.762 -144.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 19' ' ' ASN . . . -31.3 120.89 0.24 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 125.371 1.67 . . . . 1.1 111.975 -165.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -115.57 140.9 48.74 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.773 -0.648 . . . . 0.69 110.554 -168.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.21 126.62 47.95 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.342 -0.614 . . . . 1.22 109.342 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.435 ' CG2' HG12 ' A' ' 37' ' ' VAL . 4.7 m -114.92 107.35 15.27 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 116.069 -0.514 . . . . 1.06 111.047 -172.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 71.7 t90 -89.88 122.83 33.29 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.118 . . . . 0.22 107.98 168.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.527 ' HB3' HG21 ' A' ' 37' ' ' VAL . 5.7 ptt180 -130.3 138.67 50.58 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.94 -0.573 . . . . 2.49 109.615 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.486 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.1 p -70.2 161.18 30.75 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.375 -0.83 . . . . 0.97 110.663 -170.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -55.07 -37.71 67.12 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.923 0.392 . . . . 1.28 111.441 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.56 -26.35 63.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.954 -0.566 . . . . 2.57 111.118 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.58 -0.12 67.56 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.977 -0.63 . . . . 1.41 111.695 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.83 -53.39 18.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 2.64 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 11.0 mttp -85.9 131.84 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 1.81 110.486 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.9 t -143.74 117.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.678 -0.86 . . . . 1.53 108.678 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -123.85 127.28 47.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.276 -0.638 . . . . 0.38 109.276 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -115.85 122.63 45.95 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.759 0.79 . . . . 1.03 112.017 -172.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' CG1' HD12 ' A' ' 45' ' ' ILE . 27.7 t -103.75 100.48 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.638 -1.164 . . . . 1.09 109.947 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.32 116.32 9.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.1 -0.704 . . . . 1.3 109.1 175.21 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD23 ' O ' ' A' ' 25' ' ' ALA . 3.0 mm? -51.29 -26.66 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.804 1.039 . . . . 1.86 113.804 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.5 t -61.98 -17.64 57.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.771 0.32 . . . . 1.37 111.234 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -96.09 3.29 53.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 1.05 110.779 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.7 mm -98.57 146.8 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.933 -0.576 . . . . 1.07 111.217 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -109.64 -50.47 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.523 -0.762 . . . . 0.7 110.489 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.629 ' HD3' ' N ' ' A' ' 48' ' ' LEU . 3.2 tmtp? -135.21 159.01 42.89 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.049 -0.722 . . . . 2.16 109.049 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.629 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -127.22 138.57 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.914 -0.491 . . . . 1.98 110.229 171.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.44 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 66.8 mt-30 -127.2 148.16 50.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 2.28 110.36 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.94 148.71 45.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.995 -0.548 . . . . 1.17 109.815 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.36 135.8 95.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 1.15 112.221 -177.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' B' ' 34' ' ' GLU . 20.4 Cg_endo -61.15 153.3 65.73 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.502 2.801 . . . . 1.22 112.054 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.58 -17.28 63.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 1.98 112.046 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.6 p -71.63 -24.46 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.002 0.43 . . . . 1.7 110.595 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -96.94 133.5 41.51 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.931 -0.577 . . . . 1.49 109.973 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -76.04 -21.67 56.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 2.37 110.557 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -72.68 111.73 8.09 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.05 -0.523 . . . . 2.71 111.163 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.637 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.1 mpp? -71.74 118.2 14.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.85 -0.614 . . . . 1.6 110.701 178.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 10.3 tpp -152.11 139.95 19.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.278 -0.419 . . . . 1.26 111.867 -172.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD22 ' CE2' ' A' ' 91' ' ' PHE . 2.5 mm? -125.1 146.65 49.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.167 -0.469 . . . . 1.23 109.865 170.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.516 ' NH2' ' HD2' ' A' ' 86' ' ' ARG . 58.2 mtp180 -120.49 141.74 49.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.432 0.634 . . . . 2.99 110.895 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.536 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.0 mm? -106.93 105.28 15.23 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.29 -1.374 . . . . 1.45 107.29 173.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -87.54 97.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.208 -1.034 . . . . 1.24 108.208 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -74.07 158.74 52.26 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.915 -0.584 . . . . 0.37 112.212 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -65.35 164.41 13.68 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 122.313 1.054 . . . . 1.67 112.118 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 m -114.6 161.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 CA-C-N 113.293 -1.776 . . . . 2.1 110.764 -174.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 69' ' ' SER . 52.9 m-20 -60.96 149.54 36.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.011 -0.995 . . . . 4.14 109.972 171.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.34 1.35 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.139 0.792 . . . . 4.79 113.139 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.481 ' H ' ' C ' ' A' ' 67' ' ' ASP . 9.1 m -58.29 1.46 0.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.884 0.698 . . . . 4.96 112.884 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -66.8 -19.24 65.7 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.261 -1.015 . . . . 7.36 108.261 170.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -56.75 165.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.192 -1.367 . . . . 8.58 111.212 170.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -54.7 168.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 11.45 111.741 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.549 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -66.93 160.52 26.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.154 0.798 . . . . 9.28 113.154 -172.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.43 177.59 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.482 -1.235 . . . . 8.74 110.007 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -59.25 -30.95 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.466 0.576 . . . . 11.84 111.758 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.03 1.33 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.291 0.567 . . . . 11.2 110.781 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.513 ' HA2' ' HD3' ' A' ' 73' ' ' LYS . . . 63.09 38.56 96.77 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.214 -0.903 . . . . 8.99 112.687 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -47.25 -36.32 8.87 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.274 0.472 . . . . 9.0 112.274 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.549 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 44.3 mt-10 53.79 62.5 2.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.139 -0.689 . . . . 8.38 109.139 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.3 142.51 14.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.467 -0.788 . . . . 5.78 110.527 -170.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.7 126.44 43.11 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 115.99 -0.55 . . . . 4.58 109.533 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.18 124.13 7.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 121.736 1.624 . . . . 3.42 111.682 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -93.78 117.65 67.28 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.607 -0.724 . . . . 4.83 111.403 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -64.28 139.72 67.16 Favored 'Trans proline' 0 C--N 1.329 -0.458 0 C-N-CA 123.946 3.098 . . . . 1.13 111.55 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.71 111.99 23.57 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.473 -0.566 . . . . 2.53 109.473 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.516 ' HD2' ' NH2' ' A' ' 61' ' ' ARG . 6.8 mtm180 -105.61 141.85 36.36 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.341 0.867 . . . . 2.89 113.341 -171.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.536 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -117.87 114.96 24.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.739 -1.208 . . . . 0.71 107.739 172.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.9 ttm -107.86 127.63 53.9 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.324 -0.551 . . . . 1.33 110.612 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -119.55 136.87 54.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 1.18 110.381 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.55 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 50.9 m -100.44 126.36 46.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.682 -0.69 . . . . 1.5 111.199 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.864 ' CE1' ' HB1' ' A' ' 7' ' ' ALA . 94.9 m-85 -112.17 178.12 4.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.305 0.574 . . . . 0.4 109.99 175.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -134.58 17.3 3.62 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.228 -0.896 . . . . 1.58 110.956 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -141.63 133.44 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 1.62 110.188 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.96 -39.6 72.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.751 -0.659 . . . . 4.27 111.437 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.7 m -62.61 -49.01 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.555 -0.293 . . . . 1.1 110.327 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 100' ' ' ILE . 52.6 t -47.11 -55.96 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 1.07 110.714 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 9.9 mtp -45.21 -64.51 0.7 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 123.41 0.444 . . . . 1.36 112.052 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.49 -40.87 72.25 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.515 0.509 . . . . 0.67 112.001 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.61 -53.42 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 1.55 110.266 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.753 ' O ' HD11 ' A' ' 104' ' ' LEU . 45.7 mm -55.45 -49.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.588 -0.523 . . . . 1.07 109.588 174.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 29.0 mtpt -41.68 -63.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.839 -0.619 . . . . 1.55 111.234 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mtm -62.92 -46.79 86.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.656 -1.156 . . . . 1.92 112.053 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.8 m -50.98 -48.95 61.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.139 0.495 . . . . 1.07 111.533 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.753 HD11 ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -75.33 -50.24 16.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.391 -0.822 . . . . 1.69 109.469 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 9.9 tm0? -53.6 -46.93 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.711 -1.131 . . . . 2.1 111.67 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 23.5 mm-40 -61.52 -46.27 90.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.679 -0.237 . . . . 2.91 111.469 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.522 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.2 mt -62.01 -41.31 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 110.066 -0.346 . . . . 1.16 110.066 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.522 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 92.4 mt -58.08 -51.18 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.411 173.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.0 t -57.41 -32.5 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 1.9 110.722 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.7 mtt180 -67.91 -29.28 68.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.488 -0.324 . . . . 3.42 111.461 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -93.11 -17.41 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 3.1 109.624 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -76.53 -50.85 12.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.631 -1.168 . . . . 2.18 109.627 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.14 -23.57 43.89 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.779 -1.1 . . . . 1.6 109.914 173.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 60.56 24.0 13.7 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 114.377 -1.283 . . . . 1.53 110.459 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 2.23 110.162 -179.285 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 111.568 0.21 . . . . 3.79 111.568 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -69.41 -52.4 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.934 -0.306 . . . . 3.18 111.415 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -63.35 -26.28 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.006 0.432 . . . . 4.1 110.341 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -70.78 -49.3 48.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.76 -0.655 . . . . 2.67 110.674 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.04 -29.69 69.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.541 0.686 . . . . 2.16 109.857 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -66.95 -14.05 62.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.712 -1.131 . . . . 2.44 110.957 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 84.2 mt -104.96 -29.76 10.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.551 . . . . 2.97 109.903 171.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.1 -47.14 87.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.332 -0.849 . . . . 3.28 111.088 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -58.11 -34.85 70.65 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.669 0.271 . . . . 1.24 110.695 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -66.2 -46.01 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.343 0.592 . . . . 1.02 109.868 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 14.7 mmm180 -62.68 -37.9 88.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.21 -0.905 . . . . 3.92 110.609 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -72.86 -36.25 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 2.15 111.247 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.485 ' HB3' ' CG ' ' A' ' 52' ' ' PRO . 67.3 mm-40 -64.06 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 2.41 110.423 175.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.22 -35.24 80.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 3.14 109.988 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.79 87.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 2.58 110.43 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.77 -30.59 70.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 4.0 110.831 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.1 -40.62 98.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 3.22 110.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.8 mtm -82.27 -54.37 5.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.306 -0.861 . . . . 4.79 110.493 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.284 -1.287 . . . . 6.18 111.26 -178.444 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo . . . . . 0 N--CA 1.48 0.677 0 N-CA-C 110.265 -0.706 . . . . 4.35 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.494 ' O ' ' HB2' ' A' ' 3' ' ' HIS . 41.6 m 64.7 114.36 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.84 0.712 . . . . 1.99 110.659 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.494 ' HB2' ' O ' ' A' ' 2' ' ' SER . 50.3 m80 70.87 -8.77 0.91 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.976 -0.556 . . . . 1.21 111.437 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.3 p -148.09 166.24 28.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.414 0.626 . . . . 0.91 112.057 -176.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.46 153.41 8.22 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 114.56 -1.2 . . . . 0.17 110.514 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.24 114.89 6.33 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.372 0.606 . . . . 1.07 111.963 -172.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.841 ' HB3' ' CE1' ' A' ' 91' ' ' PHE . . . -123.22 175.57 6.59 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.035 -0.984 . . . . 1.05 110.165 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.621 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.28 137.2 56.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 110.377 -0.231 . . . . 1.08 110.377 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 48.1 t80 -150.32 133.55 16.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.842 -0.799 . . . . 0.45 108.842 -178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 39.6 mt-10 65.03 33.83 9.33 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.168 0.508 . . . . 1.33 111.029 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.89 -5.74 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.837 -1.074 . . . . 2.85 112.816 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 13' ' ' SER . 1.9 p -96.82 148.28 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.908 -0.775 . . . . 1.04 108.908 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.621 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.5 m -96.26 153.59 17.72 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.876 -0.602 . . . . 1.8 111.498 -176.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -171.07 -146.9 5.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.709 -0.678 . . . . 0.22 111.898 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.589 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.24 144.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.566 -0.531 . . . . 1.05 109.566 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.598 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.33 133.34 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.16 -1.422 . . . . 1.06 107.16 171.067 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.91 107.93 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.846 0.355 . . . . 1.0 111.879 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.563 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -90.1 126.0 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.106 0.479 . . . . 1.03 110.245 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -112.44 127.68 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.611 -0.722 . . . . 1.36 111.39 -173.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -121.42 72.68 1.01 Allowed 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.038 -1.097 . . . . 1.47 108.038 167.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.54 -25.1 9.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 123.068 1.413 . . . . 3.67 108.502 165.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.27 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 112.049 -2.341 . . . . 1.47 112.374 -161.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -73.51 169.35 18.7 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 105.79 -1.93 . . . . 1.72 105.79 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.0 Cg_exo -34.4 125.93 0.19 Allowed 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.354 2.036 . . . . 0.69 113.806 -144.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 107' ' ' ILE . . . -37.63 128.95 1.12 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.805 -1.543 . . . . 1.1 112.375 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.06 148.96 39.67 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.23 0.538 . . . . 0.69 110.147 -176.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' HB2' HG13 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.37 130.6 50.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.276 -0.875 . . . . 1.22 109.109 -178.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.0 m -122.35 107.07 11.66 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.262 -0.426 . . . . 1.06 110.855 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.518 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.64 130.46 35.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.434 -0.95 . . . . 0.22 108.434 171.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 7.0 ptt180 -140.6 136.21 32.55 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.045 0.45 . . . . 2.49 110.475 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.503 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 90.1 p -67.14 156.53 35.95 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.304 -0.862 . . . . 0.97 110.799 -171.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.3 p -61.28 -23.95 66.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.142 0.496 . . . . 1.28 110.54 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.45 -0.796 . . . . 2.57 110.271 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.57 12.62 60.79 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.542 -0.754 . . . . 1.41 111.955 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -58.91 1.87 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.842 0.354 . . . . 2.64 111.376 -176.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 12.4 tttp -72.46 119.72 17.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.134 -0.485 . . . . 1.81 109.932 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.48 HG21 ' HB3' ' A' ' 30' ' ' ARG . 3.1 t -135.14 128.54 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.051 -0.722 . . . . 1.53 109.051 -178.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.623 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.2 m-70 -128.42 134.12 48.72 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.241 -0.651 . . . . 0.38 109.241 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.29 125.8 48.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.285 0.564 . . . . 1.03 111.572 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.7 102.84 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.094 0.958 . . . . 1.09 110.705 -176.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -67.71 117.16 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.466 0.65 . . . . 1.3 109.562 175.495 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.72 -14.61 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.075 -0.966 . . . . 1.86 112.682 -169.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.411 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 35.0 t -65.9 -17.26 64.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.672 0.272 . . . . 1.37 110.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -97.64 4.59 50.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.797 0.332 . . . . 1.05 110.613 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.485 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 8.0 mm -104.86 136.87 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.496 -0.32 . . . . 1.07 110.282 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.524 ' O ' ' HE3' ' A' ' 112' ' ' LYS . 29.7 t70 -92.34 -42.59 9.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.91 0.386 . . . . 0.7 110.844 -177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.632 ' HB3' HG13 ' A' ' 63' ' ' ILE . 20.7 tptm -145.19 173.86 11.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.338 0.589 . . . . 2.16 110.278 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.48 154.31 45.46 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.732 -0.84 . . . . 1.98 108.732 168.575 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.5 mm-40 -143.87 149.36 36.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.577 -0.738 . . . . 2.28 110.079 -170.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.485 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -125.88 163.49 22.83 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.894 -0.323 . . . . 1.17 110.467 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 HG23 ' HB3' ' A' ' 59' ' ' MET . 0.6 OUTLIER -66.16 143.75 98.48 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 112.027 0.38 . . . . 1.15 112.027 -178.456 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.94 143.18 83.27 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.255 2.637 . . . . 1.22 111.827 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.76 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 1.98 112.537 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 p -82.16 -1.63 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.153 0.501 . . . . 1.7 111.227 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -105.46 138.45 41.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 1.49 109.743 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.661 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 29.5 tt0 -77.75 -34.8 52.33 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.858 -0.61 . . . . 2.37 110.18 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.63 127.24 30.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.509 -0.769 . . . . 2.71 110.617 -174.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.435 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 12.4 mtm -96.75 122.41 39.67 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.355 -0.839 . . . . 1.6 110.845 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.407 ' HB3' HG23 ' A' ' 51' ' ' THR . 19.0 tpp -151.37 141.5 22.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.749 -0.66 . . . . 1.26 110.868 -172.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD22 ' CE2' ' A' ' 91' ' ' PHE . 1.7 mm? -119.5 142.73 48.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 1.23 109.326 170.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.6 mtm180 -114.59 146.04 41.27 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.695 -0.684 . . . . 2.99 110.195 172.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -115.15 113.57 24.14 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.147 -0.933 . . . . 1.45 108.828 174.174 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.632 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.4 mm -86.79 97.33 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 107.72 -1.215 . . . . 1.24 107.72 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -69.82 146.13 42.85 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.165 -1.017 . . . . 0.37 112.307 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -65.22 156.94 30.22 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.181 0.515 . . . . 1.67 110.331 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.617 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 11.1 m -115.38 113.26 42.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 CA-C-N 115.655 -0.702 . . . . 2.1 110.364 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 9.4 p-10 -104.4 82.05 1.88 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.246 -1.02 . . . . 4.14 108.246 172.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.14 -50.86 65.97 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 113.769 1.026 . . . . 4.79 113.769 -159.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -100.64 -59.37 1.71 Allowed 'General case' 0 C--O 1.235 0.297 0 C-N-CA 117.903 -1.519 . . . . 4.96 110.877 166.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 1.1 mmpt? -141.18 -38.79 0.41 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 121.69 0.757 . . . . 7.36 110.923 161.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -95.06 160.91 14.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 114.537 -1.21 . . . . 8.58 110.377 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 10.8 ptp85 -135.85 104.71 5.83 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.151 0.797 . . . . 11.45 113.151 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.691 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -155.74 119.6 4.48 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.869 1.433 . . . . 9.28 114.869 164.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.704 ' HB3' ' C ' ' A' ' 79' ' ' GLU . 6.5 p-10 -110.2 -155.09 0.55 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.804 -1.184 . . . . 8.74 107.804 163.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -32.58 72.75 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.315 . . . . 11.84 110.151 173.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -89.76 -39.02 13.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.097 0.475 . . . . 11.2 110.434 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.502 ' HA2' ' HA ' ' A' ' 73' ' ' LYS . . . 124.39 37.26 0.57 Allowed Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.852 -0.69 . . . . 8.99 113.911 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -105.72 -51.8 2.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.293 0.568 . . . . 9.0 109.516 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.704 ' C ' ' HB3' ' A' ' 74' ' ' ASP . 27.2 tt0 152.01 -52.66 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.857 -2.275 . . . . 8.38 104.857 170.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 79' ' ' GLU . 15.9 m -137.67 151.77 26.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 112.06 -2.337 . . . . 5.78 108.103 167.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 6.7 p -53.67 98.86 0.19 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 122.259 1.028 . . . . 4.58 110.691 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.588 ' CB ' HG23 ' A' ' 66' ' ' VAL . 20.8 Cg_endo -91.82 168.64 3.11 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 124.201 3.267 . . . . 3.42 114.918 -162.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -105.79 106.8 57.83 Favored Pre-proline 0 N--CA 1.436 -1.169 0 CA-C-N 115.332 -0.849 . . . . 4.83 109.834 158.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.617 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 32.1 Cg_exo -65.15 152.16 83.17 Favored 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 124.564 3.509 . . . . 1.13 113.487 -177.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -84.27 114.85 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.465 -0.789 . . . . 2.53 110.031 176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HG2' HD11 ' A' ' 63' ' ' ILE . 14.6 mtm180 -102.72 136.0 43.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.63 0.728 . . . . 2.89 112.745 -173.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 89.1 m-70 -108.35 124.84 50.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.546 -1.206 . . . . 0.71 108.429 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.5 ttm -118.06 129.62 55.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.789 -0.365 . . . . 1.33 110.868 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -130.56 137.93 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 1.18 110.142 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.591 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.1 t -100.96 134.17 44.35 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.623 0.249 . . . . 1.5 111.299 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.841 ' CE1' ' HB3' ' A' ' 7' ' ' ALA . 89.7 m-85 -113.1 177.39 4.65 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.631 -0.507 . . . . 0.4 109.631 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.46 34.5 2.05 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.677 -0.692 . . . . 1.58 110.503 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -154.67 131.04 10.45 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.46 -0.791 . . . . 1.62 109.867 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.661 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 22.0 mmt180 -68.1 -36.87 80.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.494 -0.775 . . . . 4.27 111.991 -173.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 m -63.8 -48.46 76.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 1.1 110.36 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 100' ' ' ILE . 54.3 t -49.4 -53.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 1.07 110.88 174.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.48 ' CE ' ' HB1' ' A' ' 50' ' ' ALA . 10.6 mtp -47.54 -54.05 12.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.015 0.376 . . . . 1.36 112.015 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.617 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 36.2 t70 -65.67 -38.53 89.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 0.67 111.418 -175.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.1 -51.48 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.55 110.742 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.77 ' O ' HD12 ' A' ' 104' ' ' LEU . 50.8 mm -59.73 -40.98 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.676 -0.49 . . . . 1.07 109.676 175.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.617 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 28.4 mtmt -51.3 -63.41 1.14 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.033 0.444 . . . . 1.55 110.284 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mtm -58.73 -44.88 90.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.051 -0.977 . . . . 1.92 111.98 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.9 m -54.31 -54.37 41.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.923 0.392 . . . . 1.07 110.878 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.6 mp -69.97 -49.31 53.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.3 -0.63 . . . . 1.69 109.3 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.474 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -47.9 -56.21 8.08 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.297 -0.865 . . . . 2.1 112.553 -178.345 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.29 -46.13 78.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.55 0.204 . . . . 2.91 111.55 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.483 HG22 ' HB1' ' A' ' 25' ' ' ALA . 77.3 mt -60.98 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 1.16 110.591 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.1 mt -55.39 -52.19 48.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.84 -0.618 . . . . 1.14 110.678 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.8 m -62.91 -19.91 64.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.227 -0.442 . . . . 1.9 111.663 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.491 ' NH2' ' HH ' ' A' ' 111' ' ' TYR . 0.1 OUTLIER -83.6 -29.36 27.81 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.156 0.503 . . . . 3.42 109.953 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.491 ' HH ' ' NH2' ' A' ' 110' ' ' ARG . 23.0 m-85 -90.56 -16.31 29.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.495 0.664 . . . . 3.1 109.713 173.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 46' ' ' ASP . 29.1 tttt -72.01 -55.95 6.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.862 -1.063 . . . . 2.18 110.027 177.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -76.59 -33.02 58.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.168 -0.924 . . . . 1.6 109.84 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.47 24.24 10.39 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.23 -1.35 . . . . 1.53 112.126 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.452 -0.785 . . . . 2.23 110.25 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 111.671 0.249 . . . . 3.79 111.671 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.43 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 14.3 t -74.79 -36.24 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.053 -0.405 . . . . 3.18 111.736 -174.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.78 -25.59 67.98 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.146 -0.687 . . . . 4.1 109.146 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.593 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 t70 -80.0 -42.49 23.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.194 -0.912 . . . . 2.67 109.748 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.82 -31.57 64.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 2.16 111.074 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' B' ' 23' ' ' THR . 8.3 m-85 -69.79 -13.23 62.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 2.44 112.551 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -107.16 -19.56 13.57 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.1 -0.64 . . . . 2.97 110.127 171.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 31.9 mmmt -69.67 -47.63 62.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 3.28 110.826 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -61.73 -22.79 65.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 1.24 110.924 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -46.73 21.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.02 110.274 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -76.44 -33.18 58.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.636 -0.711 . . . . 3.92 110.692 -176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -68.81 -36.16 77.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 2.15 110.872 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.82 -34.27 73.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 2.41 110.478 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.25 -34.61 73.05 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.244 0.545 . . . . 3.14 109.926 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' B' ' 39' ' ' MET . . . -70.34 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 2.58 111.471 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -67.55 -34.79 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.965 -0.383 . . . . 4.0 109.965 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -94.69 -48.71 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 3.22 110.318 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' MET . . . . . 0.571 ' O ' ' HA ' ' B' ' 36' ' ' ALA . 22.5 ptm -114.28 98.54 6.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.456 0.646 . . . . 4.79 110.665 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.678 -1.068 . . . . 6.18 111.548 -179.231 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.476 0.496 0 N-CA-C 110.883 -0.468 . . . . 4.35 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.463 ' O ' HD13 ' A' ' 100' ' ' ILE . 35.6 p -148.78 -35.72 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 1.99 110.71 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.429 ' HA ' HG23 ' A' ' 103' ' ' THR . 37.1 m80 -77.4 -17.6 58.01 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.366 -0.379 . . . . 1.21 111.636 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.616 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.6 p -148.51 162.59 39.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.736 0.779 . . . . 0.91 112.956 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.21 153.84 8.69 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 113.88 -1.509 . . . . 0.17 110.16 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.5 119.2 11.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.327 0.584 . . . . 1.07 112.187 -171.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.73 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.76 177.13 7.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.842 -1.072 . . . . 1.05 109.962 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.11 137.27 56.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 110.307 -0.257 . . . . 1.08 110.307 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.688 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 54.5 t80 -150.44 134.46 16.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.628 -0.879 . . . . 0.45 108.628 -178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.688 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.5 mt-10 65.02 32.42 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.069 0.461 . . . . 1.33 110.919 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm 68.81 -8.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.045 -0.98 . . . . 2.85 112.895 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 p -95.5 148.37 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.742 -0.836 . . . . 1.04 108.742 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.611 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.4 m -99.34 151.91 20.54 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.862 -0.608 . . . . 1.8 111.521 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.541 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.34 -143.79 4.55 Favored Glycine 0 CA--C 1.5 -0.845 0 C-N-CA 120.883 -0.675 . . . . 0.22 112.824 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.591 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -124.54 143.36 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 110.144 -0.317 . . . . 1.05 110.144 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.616 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.46 131.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.048 -1.464 . . . . 1.06 107.048 172.376 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.79 110.71 6.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.126 0.417 . . . . 1.0 112.126 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.664 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -93.22 129.39 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.065 0.46 . . . . 1.03 110.391 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -114.84 124.35 51.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.413 -0.812 . . . . 1.36 110.194 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -120.52 72.5 0.96 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.067 -1.086 . . . . 1.47 108.067 168.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.34 -23.77 10.16 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 123.315 1.531 . . . . 3.67 108.423 166.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.0 -170.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 111.709 -2.496 . . . . 1.47 112.128 -161.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.46 169.81 16.7 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 105.752 -1.944 . . . . 1.72 105.752 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.595 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 76.2 Cg_exo -32.84 125.01 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.627 2.218 . . . . 0.69 113.52 -145.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 107' ' ' ILE . . . -36.0 132.33 0.52 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 125.512 1.757 . . . . 1.1 112.237 -169.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.08 144.28 43.88 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.241 -0.584 . . . . 0.69 110.112 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -102.91 127.44 50.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.083 -0.962 . . . . 1.22 108.69 179.107 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' CG2' HG12 ' A' ' 37' ' ' VAL . 4.5 m -117.34 106.75 13.58 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.958 -0.565 . . . . 1.06 110.453 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.573 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 73.1 t90 -89.78 120.53 31.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.931 -1.137 . . . . 0.22 107.931 170.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.692 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 24.4 ptt85 -129.45 128.86 43.8 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.96 -0.563 . . . . 2.49 109.871 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.541 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 53.9 p -61.2 145.04 52.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.262 0.553 . . . . 0.97 111.054 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.409 ' H ' ' HA2' ' A' ' 14' ' ' GLY . 14.8 t -80.26 -7.53 59.06 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.603 -1.258 . . . . 1.28 107.603 172.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.17 22.25 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.074 -1.876 . . . . 2.57 111.4 -176.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.9 23.16 5.41 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.263 -0.97 . . . . 1.41 113.531 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 67.83 57.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.801 0.81 . . . . 2.64 112.317 166.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.692 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.3 tttt -82.25 117.14 22.14 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.533 -1.284 . . . . 1.81 107.533 166.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG23 ' CB ' ' A' ' 30' ' ' ARG . 22.4 t -115.72 130.71 69.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.229 0.538 . . . . 1.53 111.982 -164.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.558 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -133.02 122.52 24.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.568 -0.901 . . . . 0.38 108.568 177.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.89 124.47 52.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.522 0.677 . . . . 1.03 111.866 -172.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -105.59 101.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.744 -1.116 . . . . 1.09 109.914 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.5 115.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.327 -0.99 . . . . 1.3 108.327 172.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.559 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 70.0 mt -61.44 -23.41 65.83 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.607 -1.179 . . . . 1.86 112.775 -167.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.595 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 22.7 t -54.28 -17.09 2.56 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.08 -0.388 . . . . 1.37 111.548 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -93.64 1.77 56.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 120.678 0.275 . . . . 1.05 111.281 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.53 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.9 mm -99.63 141.48 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.922 0.391 . . . . 1.07 111.094 -177.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 24.1 t70 -103.17 -48.46 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.7 110.549 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.563 ' HG3' ' H ' ' A' ' 48' ' ' LEU . 19.6 tptm -134.52 172.97 12.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.165 0.507 . . . . 2.16 110.134 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.55 142.34 33.53 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.845 -0.798 . . . . 1.98 108.845 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.0 mt-30 -136.34 160.47 38.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.626 -0.261 . . . . 2.28 110.396 -177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.637 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -149.33 166.18 29.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.156 -0.474 . . . . 1.17 110.319 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -82.96 149.27 58.98 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.955 0.407 . . . . 1.15 111.415 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.483 ' HG3' ' CG ' ' B' ' 34' ' ' GLU . 21.1 Cg_endo -61.12 138.38 77.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.085 2.524 . . . . 1.22 111.532 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -15.1 62.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.98 111.396 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 p -73.79 -16.29 61.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 1.7 110.682 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 151.05 19.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.935 -0.575 . . . . 1.49 109.548 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -69.52 -48.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.451 -0.341 . . . . 2.37 110.506 176.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' N ' ' HG2' ' A' ' 56' ' ' GLU . 4.2 ptpp? -71.3 124.11 23.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.632 -0.713 . . . . 2.71 111.503 -168.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -94.78 112.54 24.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.273 -0.876 . . . . 1.6 109.323 -177.297 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.0 tpp -131.71 135.71 47.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.415 -0.357 . . . . 1.26 110.882 -175.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.14 148.15 41.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.917 -0.583 . . . . 1.23 109.478 173.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 96.1 mtt180 -121.23 147.86 45.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.45 0.643 . . . . 2.99 111.347 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -111.1 107.13 16.4 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 107.512 -1.292 . . . . 1.45 107.512 170.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.497 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.49 98.13 7.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.304 -0.999 . . . . 1.24 108.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -73.93 141.13 28.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.177 -1.011 . . . . 0.37 112.443 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 18.2 mttt -60.18 134.75 57.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 107.696 -1.224 . . . . 1.67 107.696 174.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 0.5 OUTLIER -102.95 103.34 14.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.697 1.237 . . . . 2.1 111.182 -168.644 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -112.19 90.82 3.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.359 -1.746 . . . . 4.14 108.86 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.529 ' OE1' HG22 ' A' ' 66' ' ' VAL . 12.3 mp0 -73.29 -58.05 3.58 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 117.594 -1.642 . . . . 4.79 110.841 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -107.23 -52.07 2.82 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 119.935 -0.706 . . . . 4.96 112.593 164.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -136.08 -11.52 1.96 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.364 -0.834 . . . . 7.36 112.627 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' HD2' ' OE1' ' A' ' 68' ' ' GLU . 63.1 mttt -49.14 132.29 19.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.24 1.2 . . . . 8.58 114.24 -161.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.47 171.82 13.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.696 -1.593 . . . . 11.45 110.661 -176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 9.9 mtmp? -70.87 171.92 9.82 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.77 -1.105 . . . . 9.28 109.978 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.487 ' CB ' ' HB2' ' A' ' 78' ' ' ASN . 15.5 t70 -64.82 174.1 2.0 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.395 -0.366 . . . . 8.74 111.947 -172.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -64.52 -31.88 73.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.073 0.463 . . . . 11.84 110.503 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.21 2.13 54.85 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.964 0.888 . . . . 11.2 108.619 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 94.35 -56.83 2.04 Favored Glycine 0 N--CA 1.431 -1.652 0 CA-C-N 114.164 -1.38 . . . . 8.99 109.919 -172.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.52 ' HB3' HG12 ' A' ' 80' ' ' VAL . 1.8 t-20 55.34 -14.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.232 1.013 . . . . 9.0 113.058 -173.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.56 ' H ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt-20 32.86 63.69 0.3 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.282 1.033 . . . . 8.38 111.702 -161.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 78' ' ' ASN . 4.2 m -76.71 148.86 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.164 -0.925 . . . . 5.78 109.357 177.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.3 101.32 38.16 Favored Pre-proline 0 N--CA 1.431 -1.392 0 CA-C-O 122.009 0.909 . . . . 4.58 109.984 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.469 ' HG2' HG11 ' A' ' 66' ' ' VAL . 49.1 Cg_endo -85.61 171.82 8.3 Favored 'Trans proline' 0 N--CA 1.441 -1.59 0 C-N-CA 123.323 2.682 . . . . 3.42 109.58 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 22.3 pttp -63.84 106.02 0.83 Allowed Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 4.83 111.907 -175.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.544 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 6.0 Cg_exo -83.42 157.11 14.5 Favored 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 124.491 3.461 . . . . 1.13 114.691 -172.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -91.7 113.69 26.03 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.347 -1.353 . . . . 2.53 107.347 162.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.442 ' HG2' HD12 ' A' ' 63' ' ' ILE . 20.0 mtm180 -100.8 146.79 26.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.756 0.789 . . . . 2.89 112.541 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -115.55 136.88 52.63 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.296 . . . . 0.71 107.999 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HE3' ' HB3' ' B' ' 27' ' ' PHE . 33.1 ttm -125.61 133.44 52.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.19 -0.604 . . . . 1.33 111.258 -175.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD22 ' A' ' 62' ' ' LEU . 20.6 m-85 -128.57 139.09 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 1.18 109.996 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.529 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.6 t -110.91 136.57 49.74 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.581 -0.281 . . . . 1.5 110.452 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.73 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 41.9 m-85 -112.35 178.76 4.19 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.624 -0.88 . . . . 0.4 108.624 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.502 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 21.0 p30 -130.69 33.78 4.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.357 0.598 . . . . 1.58 110.207 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.456 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 24.6 t-20 -153.72 123.45 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.331 -0.85 . . . . 1.62 109.544 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -62.15 -38.47 89.12 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 4.27 111.309 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.456 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 58.6 m -64.54 -51.53 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.51 -0.314 . . . . 1.1 110.816 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.3 t -48.13 -58.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 115.923 -0.58 . . . . 1.07 111.863 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.647 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.6 ptm -55.29 -46.48 76.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.69 -0.404 . . . . 1.36 111.684 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.647 ' N ' ' HG3' ' A' ' 97' ' ' MET . 20.5 t70 -63.94 -40.21 95.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.511 -0.768 . . . . 0.67 111.706 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 2' ' ' SER . 7.0 m-20 -73.29 -44.83 58.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.044 -0.526 . . . . 1.55 111.132 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.804 ' O ' HD12 ' A' ' 104' ' ' LEU . 42.8 mm -58.12 -45.18 88.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 N-CA-C 109.182 -0.673 . . . . 1.07 109.182 170.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.637 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 19.9 mtmt -42.91 -64.04 0.69 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.222 0.534 . . . . 1.55 111.509 175.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.3 ttp -57.47 -52.59 64.75 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.893 -1.049 . . . . 1.92 111.798 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.429 HG23 ' HA ' ' A' ' 3' ' ' HIS . 57.2 m -50.51 -45.47 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.302 -0.863 . . . . 1.07 111.323 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 100' ' ' ILE . 2.7 mp -75.15 -50.74 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.491 0.662 . . . . 1.69 109.314 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -58.24 -44.66 88.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.476 -1.238 . . . . 2.1 112.368 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.8 mm100 -63.3 -45.92 89.13 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.487 -0.133 . . . . 2.91 111.226 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.512 HG22 ' HB3' ' A' ' 25' ' ' ALA . 80.2 mt -56.35 -44.01 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.706 -0.479 . . . . 1.16 109.706 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.8 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 70.1 mt -58.08 -54.9 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 115.489 -0.778 . . . . 1.14 110.776 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -59.86 -22.35 62.19 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.6 -0.727 . . . . 1.9 110.833 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.44 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 97.5 mtt180 -72.45 -46.1 56.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.098 -0.501 . . . . 3.42 110.771 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.8 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 -86.39 2.76 46.42 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 120.301 -0.56 . . . . 3.1 111.581 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.579 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 30.1 mttm -80.34 -37.95 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.391 0.615 . . . . 2.18 109.769 168.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.37 -37.37 19.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.13 -0.941 . . . . 1.6 109.888 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.01 20.25 12.12 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.196 -1.365 . . . . 1.53 112.691 169.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.646 -0.692 . . . . 2.23 110.969 -178.164 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.441 0.162 . . . . 3.79 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.415 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 22.6 p -71.92 -30.81 65.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.887 0.328 . . . . 3.18 111.887 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -58.83 -27.5 65.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 4.1 110.598 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.03 -34.35 68.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 2.67 110.306 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' B' ' 23' ' ' THR . 61.0 m-20 -65.15 -27.38 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.537 -0.756 . . . . 2.16 110.525 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.8 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 52.1 m-85 -66.51 -18.03 65.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.992 -0.549 . . . . 2.44 111.789 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.513 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 9.6 mp -81.2 -45.46 16.3 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.719 -0.474 . . . . 2.97 109.719 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.72 -46.91 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 3.28 112.318 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.8 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 29.0 p-90 -68.64 -23.49 64.43 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.234 -0.587 . . . . 1.24 110.815 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.92 -46.21 15.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.868 0.366 . . . . 1.02 110.162 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 21.7 mmm180 -64.64 -45.23 87.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.322 -0.399 . . . . 3.92 110.666 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -61.66 -29.9 70.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 2.15 110.554 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.483 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 6.4 tp10 -76.99 -45.96 25.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 2.41 110.712 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.45 -26.7 64.72 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.143 0.497 . . . . 3.14 110.387 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.68 -23.0 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 2.58 111.039 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.25 -32.34 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 4.0 110.012 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.72 -46.05 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.582 . . . . 3.22 110.045 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.5 mtm -93.78 43.52 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.564 -0.743 . . . . 4.79 110.431 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.893 0 CA-C-O 118.934 -0.926 . . . . 6.18 111.648 -176.327 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.474 0.328 0 N-CA-C 110.42 -0.646 . . . . 4.35 110.42 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -72.72 -53.79 10.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 1.99 111.168 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.403 ' HA ' HG22 ' A' ' 103' ' ' THR . 63.9 m80 -93.08 -0.18 57.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.56 . . . . 1.21 112.03 -173.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.5 p -152.15 161.93 41.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.864 0.84 . . . . 0.91 112.778 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.02 149.47 7.51 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 113.903 -1.499 . . . . 0.17 110.413 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.83 117.74 9.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.37 0.605 . . . . 1.07 111.476 -174.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.823 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.64 170.67 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.024 -0.989 . . . . 1.05 109.776 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.626 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -129.74 134.34 63.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 109.578 -0.527 . . . . 1.08 109.578 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.645 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 45.4 t80 -147.35 130.36 16.31 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.276 -0.638 . . . . 0.45 109.276 -174.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.645 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.2 mt-10 62.35 40.56 11.08 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.279 0.561 . . . . 1.33 111.133 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 6.3 mptt 64.86 4.1 2.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.933 -1.031 . . . . 2.85 113.289 177.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 p -112.39 148.53 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.646 -0.502 . . . . 1.04 109.646 174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.626 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 t -97.04 153.39 17.96 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.815 -0.63 . . . . 1.8 111.957 -174.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -175.08 -150.31 7.78 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.431 -0.804 . . . . 0.22 111.968 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.48 146.03 29.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.58 -0.526 . . . . 1.05 109.58 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -99.91 131.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.104 -1.443 . . . . 1.06 107.104 171.256 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.74 113.4 8.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.847 0.356 . . . . 1.0 111.554 -170.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.637 ' CD1' HD12 ' A' ' 104' ' ' LEU . 3.1 mp -93.46 125.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.546 0.689 . . . . 1.03 111.711 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.59 141.12 31.82 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.395 -1.275 . . . . 1.36 110.662 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.656 ' C ' ' H ' ' A' ' 22' ' ' VAL . 34.0 mt-10 -115.81 -147.18 0.41 Allowed 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 103.473 -2.788 . . . . 1.47 103.473 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -31.04 31.54 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 130.377 3.471 . . . . 3.67 118.271 -141.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.656 ' H ' ' C ' ' A' ' 20' ' ' GLU . 33.8 m -95.69 -166.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.869 0 CA-C-N 113.09 -1.868 . . . . 1.47 106.77 171.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.1 m -69.52 159.28 84.28 Favored Pre-proline 0 C--N 1.31 -1.151 0 N-CA-C 105.805 -1.924 . . . . 1.72 105.805 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 85.1 Cg_exo -36.18 127.14 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.458 2.105 . . . . 0.69 113.262 -149.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' HG23 ' A' ' 107' ' ' ILE . . . -34.79 128.93 0.45 Allowed 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.007 1.442 . . . . 1.1 111.667 -165.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -128.93 141.91 51.11 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.812 -0.631 . . . . 0.69 111.217 -168.168 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.446 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.7 OUTLIER -102.56 129.78 49.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.561 -0.903 . . . . 1.22 108.561 177.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -122.39 107.93 12.63 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.513 -0.312 . . . . 1.06 111.22 -171.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.538 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.1 t90 -91.07 118.2 30.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.884 -0.726 . . . . 0.22 109.042 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 5.2 ptt180 -119.5 130.31 55.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.836 -0.62 . . . . 2.49 110.09 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.443 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.1 p -65.78 151.86 45.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.124 -0.489 . . . . 0.97 110.014 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.6 p -49.76 -38.38 33.64 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 1.28 111.347 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.26 -28.59 69.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.53 -0.759 . . . . 2.57 111.573 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.76 11.94 57.36 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.742 -0.663 . . . . 1.41 111.571 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.17 -47.28 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.014 0.435 . . . . 2.64 111.409 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.609 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.0 mttt -90.68 133.04 35.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.174 -0.466 . . . . 1.81 110.744 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -143.44 117.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.651 -0.87 . . . . 1.53 108.651 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -120.64 114.67 22.03 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.241 -0.652 . . . . 0.38 109.241 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.81 125.81 49.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.422 0.629 . . . . 1.03 111.429 -172.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.99 100.96 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.972 -1.013 . . . . 1.09 110.146 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.545 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.6 113.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.573 -0.899 . . . . 1.3 108.573 175.05 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.6 -22.3 8.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.894 1.072 . . . . 1.86 113.894 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.424 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 40.9 m -62.37 -16.87 57.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 1.37 111.363 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -102.03 8.45 40.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 1.05 110.717 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.496 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.8 mm -109.45 142.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.299 -0.41 . . . . 1.07 110.722 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -109.13 -40.07 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.086 -0.506 . . . . 0.7 111.353 -173.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.6 tmtp? -135.27 174.74 10.27 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.181 0.515 . . . . 2.16 111.154 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -144.72 139.53 27.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.233 -0.894 . . . . 1.98 109.219 177.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 96.7 mt-30 -133.18 151.94 51.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.639 -0.255 . . . . 2.28 110.403 -177.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.41 145.54 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.46 -0.336 . . . . 1.17 110.461 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -73.48 151.94 89.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 1.15 111.293 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.37 124.88 17.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.041 2.494 . . . . 1.22 111.774 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.67 -18.5 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 1.98 111.22 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -70.77 -16.73 62.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.839 -0.618 . . . . 1.7 110.945 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -89.8 164.06 14.8 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.999 -0.546 . . . . 1.49 110.161 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.578 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 2.0 tt0 -63.82 -44.74 92.35 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.29 0.567 . . . . 2.37 110.097 171.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 31.7 mmmt -74.59 142.92 44.6 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.371 -0.832 . . . . 2.71 111.866 -168.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.424 ' HE2' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -137.27 113.0 9.52 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.182 -0.917 . . . . 1.6 110.161 -174.253 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.586 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 5.4 tpp -144.02 143.53 31.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.48 -0.782 . . . . 1.26 111.411 -170.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 91' ' ' PHE . 1.8 mm? -116.43 147.37 41.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.04 0.448 . . . . 1.23 109.801 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.535 ' NE ' ' HD2' ' A' ' 86' ' ' ARG . 73.9 mtt180 -121.06 146.13 47.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.597 0.713 . . . . 2.99 111.542 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.598 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -111.49 105.02 13.48 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.238 -1.346 . . . . 1.45 108.43 173.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 14.0 mm -87.11 99.91 9.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.787 -0.82 . . . . 1.24 108.787 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -64.67 155.59 47.56 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.849 -0.691 . . . . 0.37 113.103 -174.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -76.38 155.39 34.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.98 0.895 . . . . 1.67 112.439 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.27 149.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 113.687 -1.597 . . . . 2.1 108.237 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 10.0 t70 -59.11 142.28 51.91 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.787 -0.449 . . . . 4.14 109.787 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.22 -32.08 69.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.305 -0.861 . . . . 4.79 112.687 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -91.46 -8.62 47.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.141 0.496 . . . . 4.96 110.689 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' HG11 ' A' ' 81' ' ' VAL . 59.9 mmtt -101.5 4.03 40.77 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.611 0.72 . . . . 7.36 110.741 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' O ' HG23 ' A' ' 80' ' ' VAL . 36.4 tttt -53.7 164.81 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.527 -1.215 . . . . 8.58 110.157 172.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -51.04 167.06 0.08 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.649 0.593 . . . . 11.45 112.556 -162.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.41 145.9 52.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.938 0.875 . . . . 9.28 112.646 -157.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 75' ' ' ASN . 17.5 t70 -97.18 -176.28 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.964 -1.471 . . . . 8.74 112.158 -163.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.475 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 33.4 m-80 -62.27 -33.34 74.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.937 0.399 . . . . 11.84 111.223 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.56 8.37 41.89 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.766 -0.827 . . . . 11.2 108.766 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 99.86 -56.95 0.84 Allowed Glycine 0 N--CA 1.434 -1.467 0 CA-C-N 114.573 -1.194 . . . . 8.99 110.772 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 0.0 OUTLIER 59.42 -13.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.925 0.89 . . . . 9.0 112.602 -173.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' A' ' 77' ' ' GLY . 6.3 pt-20 27.87 71.73 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.374 1.07 . . . . 8.38 111.987 -165.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 71' ' ' LYS . 32.4 m -76.33 154.14 5.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.297 -1.319 . . . . 5.78 110.629 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG11 ' HB3' ' A' ' 70' ' ' LYS . 12.2 p -44.65 133.89 4.8 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 123.691 0.619 . . . . 4.58 110.037 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.28 174.79 0.43 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.438 2.759 . . . . 3.42 113.866 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 67.9 mttm -38.09 141.97 0.49 Allowed Pre-proline 0 N--CA 1.466 0.345 0 C-N-CA 123.971 0.908 . . . . 4.83 113.008 -176.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.551 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 71.4 Cg_exo -44.91 134.54 10.62 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 124.966 3.777 . . . . 1.13 113.47 -173.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.313 -0.858 . . . . 2.53 109.877 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD2' ' NE ' ' A' ' 61' ' ' ARG . 21.0 ttp180 -111.16 140.18 45.92 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.654 -0.703 . . . . 2.89 112.71 -167.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.8 m-70 -102.69 155.67 18.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.48 -0.933 . . . . 0.71 108.48 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.1 ttm -138.49 133.01 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.1 -0.24 . . . . 1.33 110.408 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -127.52 137.74 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.932 -0.396 . . . . 1.18 109.932 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.545 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 30.2 m -100.88 129.14 46.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.054 -0.521 . . . . 1.5 111.325 -175.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.823 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.6 m-85 -113.42 177.59 4.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.4 111.01 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -134.01 26.76 3.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.06 -0.973 . . . . 1.58 110.736 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -160.88 131.26 5.19 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.146 -0.316 . . . . 1.62 110.146 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.578 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 8.5 mpt_? -67.48 -30.89 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.361 -0.381 . . . . 4.27 111.062 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -61.84 -53.3 57.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.923 0.392 . . . . 1.1 110.213 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 80.9 t -52.57 -49.11 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 1.07 110.428 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.478 ' HE1' ' O ' ' A' ' 59' ' ' MET . 62.2 mmm -45.88 -57.3 4.46 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.607 0.595 . . . . 1.36 112.607 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 14.2 t70 -66.15 -38.99 89.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -174.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.59 -56.09 9.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 1.55 110.997 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.1 mm -59.05 -39.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 1.07 109.964 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 18.1 mtmt -49.75 -64.1 0.91 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.502 0.668 . . . . 1.55 110.619 174.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.508 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 27.2 ttm -58.52 -49.87 75.83 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 114.248 -1.342 . . . . 1.92 112.046 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 3' ' ' HIS . 96.6 m -52.19 -46.68 65.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 1.07 111.887 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.5 mp -77.04 -50.48 13.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 1.69 109.661 -175.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.569 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.51 -47.9 63.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.768 -1.106 . . . . 2.1 111.88 -178.338 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.509 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 49.0 mt-30 -62.03 -47.37 85.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.717 0.294 . . . . 2.91 111.111 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 70.5 mt -62.9 -41.59 93.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.239 -0.437 . . . . 1.16 110.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.409 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 67.9 mt -59.58 -47.0 92.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.281 -0.418 . . . . 1.14 110.015 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.5 t -57.38 -34.57 68.99 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.07 -0.514 . . . . 1.9 110.926 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.2 mtt180 -60.91 -41.41 96.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.117 0.484 . . . . 3.42 110.566 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -94.55 3.66 54.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.77 0.795 . . . . 3.1 109.789 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 108' ' ' ILE . 28.0 tttm -92.62 -50.91 5.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.564 -1.198 . . . . 2.18 108.831 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.46 -36.0 78.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.522 -1.217 . . . . 1.6 109.012 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.82 26.27 6.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 113.708 -1.587 . . . . 1.53 111.659 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.567 -0.73 . . . . 2.23 109.855 176.69 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.464 0.173 . . . . 3.79 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.481 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 7.1 t -88.34 -26.57 22.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.211 0.529 . . . . 3.18 110.98 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' B' ' 24' ' ' GLN . 15.7 mm-40 -67.69 -23.72 65.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.515 -0.92 . . . . 4.1 108.515 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -78.98 -43.06 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.916 -1.038 . . . . 2.67 110.648 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.481 ' OD2' ' HA ' ' B' ' 23' ' ' THR . 0.9 OUTLIER -64.23 -21.06 66.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.13 0.49 . . . . 2.16 110.275 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -65.91 -13.0 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.354 -0.839 . . . . 2.44 110.975 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.08 -24.1 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.295 -0.253 . . . . 2.97 111.141 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HG2' ' HA ' ' B' ' 26' ' ' ASP . 17.4 ptmt -85.55 -34.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.989 -0.284 . . . . 3.28 111.427 -173.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.8 p-90 -59.57 -26.62 65.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.15 0.5 . . . . 1.24 110.165 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 2.5 t-105 -60.25 -47.05 87.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.399 -0.819 . . . . 1.02 110.847 -178.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 35.4 ptt180 -84.28 -15.85 45.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.782 -0.645 . . . . 3.92 110.42 -176.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -73.14 -35.03 66.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.253 -0.647 . . . . 2.15 109.253 172.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 12.0 mm-40 -74.72 -38.59 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.495 -0.775 . . . . 2.41 110.116 175.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.66 -29.34 69.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.213 0.53 . . . . 3.14 109.906 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -19.37 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.812 -0.631 . . . . 2.58 111.072 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.16 -17.19 60.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.062 0.458 . . . . 4.0 110.762 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -100.07 -24.94 14.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.402 0.62 . . . . 3.22 109.739 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 58.5 ttp -79.86 -31.94 40.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.81 . . . . 4.79 110.73 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.326 -1.263 . . . . 6.18 111.428 -179.558 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.501 ' HG2' ' OG ' ' A' ' 4' ' ' SER . 1.9 Cg_endo . . . . . 0 N--CA 1.476 0.445 0 N-CA-C 110.053 -0.787 . . . . 4.35 110.053 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' HA ' ' CG ' ' A' ' 99' ' ' ASN . 32.8 p -75.97 -43.48 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.047 0.451 . . . . 1.99 110.755 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -91.17 4.18 52.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.547 0.573 . . . . 1.21 112.547 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.576 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 16.7 p -162.16 159.59 26.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.7 0.762 . . . . 0.91 112.828 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.69 151.01 9.19 Favored Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 114.216 -1.356 . . . . 0.17 110.427 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.593 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.75 115.58 9.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.232 0.539 . . . . 1.07 112.146 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.851 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.28 173.55 8.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.18 -0.918 . . . . 1.05 110.23 -175.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.607 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -129.51 137.52 56.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 110.044 -0.354 . . . . 1.08 110.044 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.59 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 45.8 t80 -149.98 129.87 13.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.293 -0.632 . . . . 0.45 109.293 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.59 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 48.8 mt-10 63.2 42.2 7.3 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.309 0.576 . . . . 1.33 111.244 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -4.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 2.85 113.183 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 p -104.89 147.71 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.641 -0.503 . . . . 1.04 109.641 175.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.607 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.4 t -96.28 157.02 16.09 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.59 -0.732 . . . . 1.8 111.348 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.419 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.12 -146.19 5.86 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.165 -0.925 . . . . 0.22 111.851 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.593 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.51 146.86 30.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.57 -0.53 . . . . 1.05 109.57 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.55 131.51 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.372 -1.344 . . . . 1.06 107.372 169.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 118.15 12.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.77 0.319 . . . . 1.0 111.775 -170.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.632 ' CD1' HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.54 122.48 47.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.392 0.615 . . . . 1.03 110.68 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -99.66 145.85 27.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.76 -1.109 . . . . 1.36 109.751 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.725 ' O ' HG21 ' A' ' 22' ' ' VAL . 41.6 mt-10 -111.87 -146.27 0.41 Allowed 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 105.833 -1.914 . . . . 1.47 105.833 -174.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.68 30.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 131.13 3.772 . . . . 3.67 118.295 -142.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG21 ' O ' ' A' ' 20' ' ' GLU . 32.9 m -94.88 -168.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.265 -3.106 0 CA-C-N 113.334 -1.757 . . . . 1.47 106.413 169.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -69.64 149.58 96.86 Favored Pre-proline 0 C--N 1.305 -1.333 0 N-CA-C 106.131 -1.803 . . . . 1.72 106.131 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.407 ' HB2' HG23 ' A' ' 41' ' ' VAL . 83.9 Cg_exo -34.53 125.43 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.964 2.443 . . . . 0.69 113.977 -142.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 107' ' ' ILE . . . -24.99 125.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 125.647 1.842 . . . . 1.1 112.694 -168.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 6.0 mt-10 -114.46 142.79 45.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.692 0.758 . . . . 0.69 111.047 -169.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -103.47 113.72 27.45 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.475 -1.305 . . . . 1.22 107.475 -176.064 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 8.5 m -115.43 107.84 15.71 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.931 -0.577 . . . . 1.06 111.2 -170.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 75.9 t90 -88.0 129.02 35.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.793 -1.188 . . . . 0.22 107.793 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.603 ' CB ' HG12 ' A' ' 37' ' ' VAL . 13.3 ptt180 -137.68 135.62 36.65 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.835 0.826 . . . . 2.49 110.831 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -64.88 151.71 44.87 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.045 -1.434 . . . . 0.97 110.472 -173.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.8 p -53.47 -25.91 18.3 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.278 0.844 . . . . 1.28 113.278 -169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -83.28 -22.76 32.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.186 0.517 . . . . 2.57 111.034 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 6.23 58.87 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.999 -0.62 . . . . 1.41 112.155 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.84 -64.19 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.799 0.333 . . . . 2.64 111.342 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.4 tttp -85.05 119.44 25.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.019 -0.537 . . . . 1.81 111.007 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.603 HG12 ' CB ' ' A' ' 30' ' ' ARG . 12.6 m -129.88 150.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-N 115.445 -0.798 . . . . 1.53 109.387 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.559 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m-70 -142.61 120.59 12.06 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.453 -0.943 . . . . 0.38 108.453 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.46 HG22 ' OG1' ' A' ' 28' ' ' THR . 1.0 OUTLIER -109.63 116.87 32.53 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.667 0.746 . . . . 1.03 111.738 -172.591 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.558 ' CG1' HD13 ' A' ' 45' ' ' ILE . 58.0 t -103.77 99.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.87 -1.059 . . . . 1.09 110.755 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -70.84 116.99 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.901 -0.777 . . . . 1.3 108.901 175.238 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 25' ' ' ALA . 2.4 mm? -51.75 -23.2 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.067 1.136 . . . . 1.86 114.067 -172.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -68.5 -11.33 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.944 0.402 . . . . 1.37 111.005 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 p -100.65 6.77 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 1.05 110.526 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.558 HD13 ' CG1' ' A' ' 40' ' ' VAL . 30.0 mm -99.33 146.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.972 -0.558 . . . . 1.07 111.839 -178.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -115.8 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.7 110.91 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 48.9 tptt -135.28 174.54 10.5 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.981 -0.378 . . . . 2.16 109.981 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.08 135.12 25.41 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.791 -0.818 . . . . 1.98 108.791 172.609 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.498 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 12.8 mm100 -125.32 147.03 49.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.266 -0.424 . . . . 2.28 110.153 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.68 155.12 48.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.103 -0.498 . . . . 1.17 109.981 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 p -75.39 152.94 85.85 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.92 0.39 . . . . 1.15 111.752 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.55 124.03 15.14 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.047 2.498 . . . . 1.22 111.852 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.05 -21.44 64.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.53 . . . . 1.98 111.402 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 p -68.92 -19.93 64.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 1.7 110.866 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -93.44 162.44 13.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.479 . . . . 1.49 109.808 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.637 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 1.8 tt0 -71.75 -41.92 67.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.163 0.506 . . . . 2.37 110.76 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -69.02 119.72 13.76 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.195 -0.911 . . . . 2.71 111.42 -166.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.65 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 15.5 mtm -101.77 112.72 25.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.933 -1.031 . . . . 1.6 110.036 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.4 tpp -140.32 141.3 35.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.009 -0.541 . . . . 1.26 110.238 -176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.2 mm? -116.81 150.82 37.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.173 -0.467 . . . . 1.23 110.147 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 82.6 mtt180 -126.37 133.85 51.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 2.99 110.932 170.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.761 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.3 mm? -96.6 107.17 19.55 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.913 -1.143 . . . . 1.45 107.913 171.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.481 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.8 mm -87.52 99.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 C-N-CA 120.11 -0.636 . . . . 1.24 109.472 -177.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.58 158.69 53.65 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.721 -0.951 . . . . 0.37 110.721 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -59.61 160.13 7.6 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.765 0.793 . . . . 1.67 110.049 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG13 ' CA ' ' A' ' 84' ' ' PRO . 7.5 m -91.43 154.36 3.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.635 -1.166 . . . . 2.1 111.17 -166.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 69' ' ' SER . 3.8 m-20 -61.85 150.05 38.47 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.394 -1.275 . . . . 4.14 111.144 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' A' ' 70' ' ' LYS . 8.4 mp0 -55.16 -0.57 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.817 -1.083 . . . . 4.79 113.37 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 67' ' ' ASP . 4.2 m -60.31 5.38 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.685 0.794 . . . . 4.96 112.332 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 68' ' ' GLU . 40.0 mttt -65.7 -8.92 23.47 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.041 0.536 . . . . 7.36 110.583 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -53.26 158.98 1.43 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.436 -0.802 . . . . 8.58 113.125 -176.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -57.6 173.2 0.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.766 -1.106 . . . . 11.45 112.031 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 61.3 mttp -65.38 146.16 55.25 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.998 -1.001 . . . . 9.28 110.607 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -82.03 -173.47 4.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.778 -1.101 . . . . 8.74 111.001 -168.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.19 -31.76 72.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.243 0.474 . . . . 11.84 111.349 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -92.43 6.45 46.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.618 0.723 . . . . 11.2 109.492 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 94.98 -57.25 1.8 Allowed Glycine 0 N--CA 1.433 -1.522 0 N-CA-C 109.934 -1.266 . . . . 8.99 109.934 -172.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' HB3' ' CG1' ' A' ' 80' ' ' VAL . 9.1 m-20 50.92 -55.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.992 1.108 . . . . 9.0 113.992 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 60.0 62.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.122 -0.695 . . . . 8.38 109.122 -172.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 3.6 m -82.19 145.66 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 5.78 110.443 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 127.52 26.95 Favored Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 109.044 -0.724 . . . . 4.58 109.044 175.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.36 126.44 14.95 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.011 1.807 . . . . 3.42 111.994 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 20.8 ptmt -92.92 125.57 54.67 Favored Pre-proline 0 C--N 1.316 -0.88 0 CA-C-N 115.805 -0.634 . . . . 4.83 111.226 -177.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 9.7 Cg_exo -76.77 139.43 19.85 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.497 2.798 . . . . 1.13 111.293 174.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -90.43 114.12 26.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.259 -0.645 . . . . 2.53 109.259 174.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 13.5 ptt180 -119.32 158.32 26.34 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.439 0.638 . . . . 2.89 111.904 -173.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 82.0 m-70 -116.08 145.92 42.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.762 -1.108 . . . . 0.71 108.557 -177.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.486 ' HE3' ' HB3' ' B' ' 27' ' ' PHE . 14.2 ttm -132.09 129.33 39.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 118.581 0.628 . . . . 1.33 112.332 -175.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.761 ' CE2' HD23 ' A' ' 62' ' ' LEU . 1.5 m-85 -126.43 132.99 51.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.435 -0.802 . . . . 1.18 111.78 -173.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.438 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 8.7 t -100.82 128.25 46.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.401 -0.363 . . . . 1.5 110.33 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.851 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.7 m-85 -112.34 176.95 4.8 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.247 -0.649 . . . . 0.4 109.247 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.91 31.03 2.75 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.313 0.578 . . . . 1.58 110.401 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -149.64 130.27 14.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.587 -0.733 . . . . 1.62 109.841 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.65 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 13.4 mmt180 -64.46 -43.91 92.76 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.101 -0.954 . . . . 4.27 111.572 -173.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.1 m -62.36 -48.22 80.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 1.1 110.792 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.4 t -48.85 -59.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.764 -0.653 . . . . 1.07 111.945 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.653 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.6 ptm -60.08 -48.39 81.94 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.288 -0.565 . . . . 1.36 111.105 -174.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.653 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -58.09 -37.97 75.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.825 -0.625 . . . . 0.67 111.815 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.447 ' CG ' ' HA ' ' A' ' 2' ' ' SER . 8.7 t-20 -73.34 -54.05 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.912 -0.403 . . . . 1.55 109.912 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.767 ' O ' HD12 ' A' ' 104' ' ' LEU . 44.0 mm -50.89 -46.51 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.748 -0.66 . . . . 1.07 109.776 171.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 25.1 mtpt -42.78 -64.0 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.443 0.64 . . . . 1.55 111.267 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.2 ttm -59.8 -53.8 53.76 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.626 -1.17 . . . . 1.92 112.174 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 107' ' ' ILE . 71.8 m -48.06 -46.21 33.18 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.451 0.47 . . . . 1.07 112.108 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.767 HD12 ' O ' ' A' ' 100' ' ' ILE . 3.8 mp -74.03 -50.99 17.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.499 0.666 . . . . 1.69 109.33 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.506 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -56.13 -43.49 78.26 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.456 -1.247 . . . . 2.1 111.958 -178.447 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -62.86 -41.87 99.54 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.689 -0.232 . . . . 2.91 111.216 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.509 HG22 ' HB1' ' A' ' 25' ' ' ALA . 59.6 mt -66.39 -37.51 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 1.16 110.217 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 104' ' ' LEU . 76.0 mt -59.05 -53.44 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.203 0.525 . . . . 1.14 109.947 172.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 47.1 t -59.45 -35.62 74.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.754 . . . . 1.9 110.459 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -55.94 -36.7 68.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 123.256 0.622 . . . . 3.42 111.989 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' HG21 ' A' ' 107' ' ' ILE . 28.0 m-85 -89.47 -16.71 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 3.1 110.539 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 79.1 mttt -78.06 -40.7 37.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.848 -0.615 . . . . 2.18 110.306 175.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -79.68 -23.57 42.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.908 0.861 . . . . 1.6 109.102 171.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.96 35.76 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 113.406 -1.725 . . . . 1.53 110.758 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 114.696 -1.138 . . . . 2.23 110.985 -177.687 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.555 0.217 . . . . 3.79 111.246 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -55.37 -50.49 69.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.944 0.35 . . . . 3.18 111.944 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 28.1 pt20 -60.36 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 4.1 111.146 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.84 -32.84 40.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.431 0.634 . . . . 2.67 110.037 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.21 -40.23 82.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.444 -0.798 . . . . 2.16 109.835 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . 0.627 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 43.7 m-85 -62.11 -16.84 55.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.5 -0.773 . . . . 2.44 111.967 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 83.4 mt -81.61 -53.29 6.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.432 . . . . 2.97 110.531 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -70.47 -46.0 64.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.734 -0.666 . . . . 3.28 112.394 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' TRP . . . . . 0.627 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 3.2 p-90 -60.81 -34.67 74.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.813 0.34 . . . . 1.24 110.448 -175.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -71.35 -46.51 60.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.302 0.572 . . . . 1.02 110.179 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.25 -20.49 64.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 3.92 110.49 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.6 t -71.39 -39.63 71.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.49 . . . . 2.15 109.815 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 7.5 mm-40 -66.59 -34.14 77.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 2.41 110.296 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -76.93 -25.01 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 3.14 110.138 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -44.64 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 2.58 111.586 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -59.12 -25.27 63.69 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.527 -0.306 . . . . 4.0 111.442 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.44 -40.91 98.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.022 0.439 . . . . 3.22 110.861 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptm -101.85 31.03 4.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 4.79 110.593 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.126 -0.819 . . . . 6.18 111.231 178.079 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 120.271 0.082 . . . . 0.61 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -150.6 173.84 13.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.18 -0.608 . . . . 0.28 112.48 -172.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.41 148.67 5.65 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 114.748 -1.115 . . . . 0.15 110.667 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.87 114.36 5.65 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.277 0.561 . . . . 0.19 111.873 -173.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.86 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.63 172.17 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.011 -0.995 . . . . 0.16 109.605 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -129.5 134.73 63.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 109.954 -0.387 . . . . 0.36 109.954 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.585 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 35.2 t80 -150.2 125.84 10.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.153 -0.476 . . . . 0.39 109.969 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 63.05 46.15 4.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.327 0.584 . . . . 1.33 111.405 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 69.11 -0.15 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.834 -1.075 . . . . 2.23 113.31 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -117.39 148.9 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.706 -0.479 . . . . 0.26 109.706 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.6 m -94.43 157.06 16.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.753 -0.658 . . . . 1.29 111.27 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.2 -147.49 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.997 -0.547 . . . . 0.17 112.159 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.68 146.01 32.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.467 -0.568 . . . . 0.18 109.467 175.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -100.13 133.09 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 107.297 -1.372 . . . . 0.17 107.297 170.231 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.06 108.74 5.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 0.15 112.085 -169.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 104' ' ' LEU . 3.2 mp -87.89 126.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.286 0.565 . . . . 0.23 109.945 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.08 121.13 42.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.417 -0.811 . . . . 1.36 110.657 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -120.89 70.73 0.91 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 118.981 -1.088 . . . . 1.47 108.622 167.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -112.82 -17.06 12.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.75 1.262 . . . . 3.67 108.612 161.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 29.0 m -107.31 -169.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 112.687 -2.051 . . . . 0.9 111.245 -162.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.0 m -72.97 169.06 19.15 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 105.655 -1.979 . . . . 1.23 105.655 174.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 23' ' ' SER . 50.5 Cg_exo -34.08 125.58 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.687 2.258 . . . . 0.56 113.541 -150.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.79 130.44 0.77 Allowed 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 113.826 -1.534 . . . . 0.27 112.683 -164.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.5 mt-10 -116.97 148.1 41.71 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 120.219 -0.592 . . . . 0.69 110.012 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.98 128.92 49.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.714 . . . . 0.59 109.078 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 6.5 m -122.93 108.58 13.11 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.133 -0.485 . . . . 0.22 111.434 -171.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.16 120.71 30.78 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.63 -0.828 . . . . 0.22 108.885 171.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.858 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -124.7 132.51 53.39 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.671 -0.695 . . . . 1.93 109.994 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 85.8 p -63.26 162.34 12.25 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.8 -0.636 . . . . 0.27 110.633 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -56.16 -35.01 66.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.212 0.53 . . . . 0.97 111.409 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.53 -28.49 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 2.57 110.96 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.91 -7.86 59.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 1.07 112.663 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.55 -50.47 65.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.127 0.489 . . . . 2.64 111.162 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 3.6 mttp -85.45 120.74 27.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.743 -0.662 . . . . 1.2 110.858 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.6 t -132.71 126.56 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.914 -0.773 . . . . 0.83 108.914 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m80 -129.22 115.98 18.47 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.327 -0.62 . . . . 0.33 109.327 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.9 OUTLIER -105.73 133.05 51.08 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.033 0.444 . . . . 0.32 111.38 -173.19 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 51.1 t -121.72 102.0 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.23 110.664 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.31 119.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.517 0.675 . . . . 0.63 109.828 175.808 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.92 -16.77 64.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.941 -1.027 . . . . 1.24 113.166 -168.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 26.8 t -65.27 -21.47 66.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 1.08 110.728 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.2 p -93.92 2.27 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.36 110.479 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.2 mm -99.13 139.76 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-N 115.874 -0.603 . . . . 0.36 111.807 -176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 15.8 t70 -98.6 -42.28 7.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 0.7 110.496 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.2 tmtt? -143.78 174.18 11.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.306 0.574 . . . . 1.56 110.554 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -147.26 154.77 41.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.146 166.469 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.5 mt-30 -142.21 162.92 34.24 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.04 -0.527 . . . . 2.28 110.545 -168.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.516 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.52 164.4 32.68 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.468 0.48 . . . . 0.43 110.087 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.55 111.625 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG3' HG21 ' A' ' 51' ' ' THR . 16.6 ptpt . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.203 0.525 . . . . 2.29 111.143 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.6 mpt? -113.37 119.88 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.369 -173.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -146.08 140.1 26.5 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.927 -0.309 . . . . 0.63 111.161 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.1 mm? -120.67 153.5 36.81 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.041 -0.726 . . . . 0.48 109.041 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.3 mtt180 -123.14 153.15 40.38 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.227 -0.442 . . . . 2.37 111.373 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.814 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -117.01 104.43 11.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.488 -0.778 . . . . 0.7 109.071 169.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.579 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.5 mm -88.43 99.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.735 -0.469 . . . . 0.41 109.735 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.72 152.37 47.48 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.334 -0.936 . . . . 0.37 111.703 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 83.2 mttt . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.988 0.899 . . . . 1.16 111.631 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.006 -0.739 . . . . 2.01 109.006 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 22.8 ptt180 -125.11 160.91 27.98 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.434 0.635 . . . . 2.24 112.231 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.1 m-70 -114.91 151.23 34.38 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.916 -1.038 . . . . 0.6 108.897 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.3 ttm -133.26 130.93 39.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.251 -0.579 . . . . 0.73 111.557 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.0 m-85 -123.03 132.18 54.02 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.602 -0.726 . . . . 0.94 111.244 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.58 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.7 m -99.53 122.11 42.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.01 -0.541 . . . . 1.3 111.157 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.86 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 91.3 m-85 -112.4 178.87 4.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.382 -0.599 . . . . 0.32 109.382 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.708 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 25.2 p-10 -142.66 36.65 1.46 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 1.17 110.215 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.487 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.4 t-20 -152.83 128.12 9.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.317 -0.856 . . . . 1.62 109.422 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -71.96 -35.5 69.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 3.68 111.57 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.487 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 59.9 m -59.67 -51.04 71.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.864 0.364 . . . . 0.5 110.39 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 91' ' ' PHE . 46.5 t -52.7 -54.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.621 -0.718 . . . . 0.27 110.617 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 6.5 mtp -45.79 -56.8 4.88 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 112.424 0.527 . . . . 0.84 112.424 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.635 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 17.0 t70 -64.12 -39.17 93.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.369 -0.378 . . . . 0.67 111.219 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.68 -50.08 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.55 110.942 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.8 ' O ' HD13 ' A' ' 104' ' ' LEU . 51.4 mm -61.69 -41.23 89.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.569 -0.53 . . . . 0.22 109.569 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.635 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 30.7 mtmt -50.54 -60.06 3.4 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.508 0.67 . . . . 0.92 110.168 173.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.5 mtm -59.6 -50.15 74.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.43 -1.259 . . . . 1.41 112.422 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 88.8 m -54.16 -48.76 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.27 111.384 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.8 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.1 mp -70.92 -51.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.085 -0.709 . . . . 1.03 109.085 -176.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -50.46 -50.83 51.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.636 -1.165 . . . . 1.72 111.88 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.1 mm-40 -66.43 -49.89 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.328 0.492 . . . . 2.21 112.328 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 25' ' ' ALA . 46.4 mt -62.44 -43.69 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.594 -0.442 . . . . 0.39 110.307 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.6 mt -53.42 -49.27 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.809 -0.632 . . . . 0.4 110.185 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -69.76 -21.81 63.41 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.669 -0.696 . . . . 1.32 112.032 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 93.8 mtt180 -68.18 -24.4 64.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.021 0.438 . . . . 2.87 110.169 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 2.75 109.907 177.1 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 103' ' ' THR . 47.8 m80 . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 114.201 1.185 . . . . 0.61 114.201 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 7.9 p -140.07 157.48 45.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.83 1.048 . . . . 0.28 113.83 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . 174.04 154.93 11.26 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 113.588 -1.642 . . . . 0.15 110.112 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.27 116.77 8.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.322 0.582 . . . . 0.19 112.087 -172.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.49 173.22 7.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.16 110.157 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.7 mp -131.99 135.68 58.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.052 -0.522 . . . . 0.36 109.899 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.634 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 44.8 t80 -149.21 131.89 15.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.815 -0.809 . . . . 0.39 108.815 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.6 mt-10 64.24 32.3 12.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.557 0.694 . . . . 1.33 110.398 -176.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 65.09 3.22 2.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.564 -1.198 . . . . 2.23 112.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -103.64 148.66 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 15.4 t -98.51 154.0 18.21 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.32 0.581 . . . . 1.29 111.96 -174.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.521 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.12 -148.14 6.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.906 -1.043 . . . . 0.17 111.791 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.58 145.09 31.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.615 -0.513 . . . . 0.18 109.615 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.36 132.92 45.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.888 -1.523 . . . . 0.17 106.888 170.054 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.86 5.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.187 0.44 . . . . 0.15 112.187 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.706 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.9 mp -92.61 131.04 40.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.884 0.373 . . . . 0.23 110.131 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -119.24 129.26 54.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.852 -0.613 . . . . 1.36 110.757 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 13.8 mt-10 -120.27 72.71 0.95 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.753 -1.203 . . . . 1.47 107.753 167.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -112.91 -23.3 10.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.982 1.372 . . . . 3.67 108.553 164.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.16 -169.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 112.08 -2.327 . . . . 0.9 111.568 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 49.9 p -73.04 168.56 23.62 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 105.419 -2.067 . . . . 1.23 105.419 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.652 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 77.1 Cg_exo -33.29 125.64 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.594 2.196 . . . . 0.56 113.912 -146.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.28 130.01 0.36 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 125.527 1.767 . . . . 0.27 112.307 -169.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.43 145.05 42.34 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.859 -0.737 . . . . 0.69 110.085 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.56 129.72 50.83 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.718 -1.128 . . . . 0.59 108.876 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -120.62 107.87 13.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 120.845 -0.342 . . . . 0.22 110.768 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 87.4 t90 -89.35 114.96 26.44 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 119.115 -1.034 . . . . 0.22 108.27 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.946 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.1 ptt180 -124.46 122.74 38.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.392 -0.822 . . . . 1.93 110.284 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.521 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.6 p -58.23 154.0 14.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.85 -1.068 . . . . 0.27 111.342 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -52.11 -39.35 59.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.97 111.378 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -67.15 -26.48 66.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 2.57 111.585 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.08 3.59 63.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 1.07 112.042 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.12 -62.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 2.64 110.721 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.0 mttt -80.27 128.77 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.834 -0.621 . . . . 1.2 111.468 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.8 t -139.43 117.49 11.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.897 -0.779 . . . . 0.83 108.897 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -121.25 116.07 24.19 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.009 -0.737 . . . . 0.33 109.009 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.47 119.6 39.97 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.643 0.735 . . . . 0.32 111.845 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -106.83 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.787 -1.097 . . . . 0.23 110.362 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -68.62 116.84 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.359 -0.978 . . . . 0.63 108.359 171.688 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.037 -0.983 . . . . 1.24 112.563 -168.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.652 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 44.9 t -52.6 -23.42 6.42 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.636 0.255 . . . . 1.08 111.672 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -88.25 -2.53 58.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.216 0.531 . . . . 0.36 110.86 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 10.2 mm -100.77 145.16 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.032 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.7 110.114 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 63' ' ' ILE . 4.2 tmtp? -135.38 174.95 10.04 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.288 0.566 . . . . 1.56 110.22 -175.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.598 HD22 HD12 ' A' ' 108' ' ' ILE . 2.4 pt? -142.81 154.06 43.83 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 1.37 108.479 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.1 mt-30 -135.38 145.69 47.6 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.93 -0.308 . . . . 2.28 110.27 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 101' ' ' LYS . . . -135.19 145.83 48.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.43 110.735 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.55 112.519 -175.699 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.969 0.414 . . . . 2.29 111.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.581 ' SD ' ' HD2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -98.57 113.01 24.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.852 -0.613 . . . . 1.13 110.04 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 tpp -139.44 145.55 38.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 0.63 110.872 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -126.19 143.62 51.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.48 109.844 168.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 69.7 mtt180 -112.27 148.44 34.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.474 -0.785 . . . . 2.37 111.327 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -111.6 103.34 11.65 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.743 -1.117 . . . . 0.7 108.873 172.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.624 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.0 mm -87.73 98.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.589 -0.522 . . . . 0.41 109.589 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.64 149.7 49.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.943 -0.646 . . . . 0.37 112.239 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.2 mttt . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 122.445 1.117 . . . . 1.16 112.384 -175.388 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 109.612 -0.514 . . . . 2.01 109.612 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.9 ptp180 -113.33 151.91 30.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.744 0.783 . . . . 2.24 112.789 -169.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 60.3 m-70 -107.04 155.32 19.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.86 -1.163 . . . . 0.6 107.86 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.3 ttm -134.09 129.62 36.24 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.631 -0.428 . . . . 0.73 110.609 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 62' ' ' LEU . 7.1 m-85 -124.51 133.36 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.065 0.459 . . . . 0.94 109.774 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.479 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.8 m -92.3 147.79 22.64 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.395 -0.82 . . . . 1.3 109.948 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.815 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 97.3 m-85 -120.06 177.3 5.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.29 0.567 . . . . 0.32 110.183 167.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.48 26.81 5.91 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.086 -0.961 . . . . 1.17 110.433 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -157.69 135.03 10.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.179 -0.464 . . . . 1.62 109.809 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.581 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 14.3 mmm180 -72.39 -35.23 68.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.056 -0.52 . . . . 3.68 111.808 -173.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.1 m -67.3 -48.74 66.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.994 0.426 . . . . 0.5 110.428 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 100' ' ' ILE . 26.0 t -46.81 -57.52 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.274 -0.876 . . . . 0.27 111.95 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.68 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 10.8 ptm -55.07 -51.33 66.69 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.381 -0.528 . . . . 0.84 111.18 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.664 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -56.23 -41.1 75.13 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.606 0.566 . . . . 0.67 111.81 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -50.1 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.009 0.433 . . . . 1.55 110.529 175.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 104' ' ' LEU . 48.5 mm -59.73 -42.87 90.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.732 -0.667 . . . . 0.22 110.173 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HG2' HD11 ' A' ' 60' ' ' LEU . 1.3 mtpt -49.01 -63.11 1.19 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.43 0.633 . . . . 0.92 110.138 175.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.96 -44.29 91.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.552 -1.204 . . . . 1.41 112.076 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' ' 3' ' ' HIS . 62.3 m -54.48 -57.86 9.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.278 0.561 . . . . 0.27 110.87 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -66.33 -50.62 62.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.224 -0.898 . . . . 1.03 109.622 -174.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -43.01 -50.73 5.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.845 -1.071 . . . . 1.72 112.101 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 55.8 mt-30 -71.25 -51.74 22.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.379 -0.343 . . . . 2.21 111.77 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 25' ' ' ALA . 71.2 mt -52.21 -47.91 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.395 0.617 . . . . 0.39 110.072 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.123 HG12 ' OH ' ' A' ' 111' ' ' TYR . 68.7 mt -55.74 -56.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 114.876 -1.056 . . . . 0.4 110.521 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -60.19 -22.61 63.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.77 0.319 . . . . 1.32 111.28 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 85.8 mtt180 -68.55 -43.12 77.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.592 -0.276 . . . . 2.87 110.663 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 1.123 ' OH ' HG12 ' A' ' 108' ' ' ILE . 1.5 p90 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.299 0.571 . . . . 2.75 110.687 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.446 ' HA ' HG21 ' A' ' 103' ' ' THR . 57.8 m80 . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 112.642 0.608 . . . . 0.61 112.642 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 17.5 p -154.45 165.15 37.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.48 0.657 . . . . 0.28 112.176 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.33 149.91 6.64 Favored Glycine 0 N--CA 1.439 -1.155 0 CA-C-N 114.466 -1.243 . . . . 0.15 110.597 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 114.45 5.92 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.306 0.574 . . . . 0.19 111.555 -174.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.28 177.24 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.16 110.049 -176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.5 mp -131.18 136.7 57.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 110.214 -0.291 . . . . 0.36 110.214 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 65.3 t80 -150.23 136.27 18.6 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.729 -0.841 . . . . 0.39 108.729 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.8 mt-10 63.89 31.94 13.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.504 0.669 . . . . 1.33 110.87 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 64.35 5.07 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.616 -1.175 . . . . 2.23 113.12 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -107.0 149.03 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.873 -0.788 . . . . 0.26 108.873 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.622 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 m -92.94 151.0 20.19 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.077 -0.511 . . . . 1.29 111.837 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -167.71 -151.56 7.07 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.714 -0.675 . . . . 0.17 111.804 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.21 146.18 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.15 -0.685 . . . . 0.18 109.15 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.47 130.45 49.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.252 -1.388 . . . . 0.17 107.252 170.237 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.65 111.0 7.03 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.07 0.396 . . . . 0.15 112.07 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 104' ' ' LEU . 3.5 mp -94.6 127.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.004 0.431 . . . . 0.23 110.125 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -116.91 130.86 56.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.653 -0.703 . . . . 1.36 110.359 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -124.56 72.72 1.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.174 -1.047 . . . . 1.47 108.174 168.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -112.93 -21.63 11.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.21 1.481 . . . . 3.67 108.348 165.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 23' ' ' SER . 17.0 m -107.46 -168.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 111.832 -2.44 . . . . 0.9 111.859 -160.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.53 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 44.1 p -72.64 169.27 17.82 Favored Pre-proline 0 C--N 1.314 -0.958 0 N-CA-C 105.686 -1.968 . . . . 1.23 105.686 173.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 50.1 Cg_exo -34.61 126.67 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.607 2.204 . . . . 0.56 113.649 -148.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.18 132.76 1.33 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 125.096 1.498 . . . . 0.27 112.33 -166.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -118.08 146.57 44.01 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.31 0.576 . . . . 0.69 110.286 -174.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -103.53 128.33 50.77 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.059 -0.973 . . . . 0.59 108.841 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.471 ' CG2' HG13 ' A' ' 37' ' ' VAL . 5.0 m -119.25 107.62 13.64 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 120.666 -0.414 . . . . 0.22 110.917 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.2 t90 -88.46 119.13 28.61 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.902 -1.148 . . . . 0.22 107.902 168.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.714 ' CB ' HG22 ' A' ' 37' ' ' VAL . 17.9 ptt180 -129.34 128.17 42.56 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 115.873 -0.603 . . . . 1.93 110.096 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.494 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 79.9 p -62.79 149.4 44.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.446 -0.797 . . . . 0.27 110.549 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' HA2' ' A' ' 14' ' ' GLY . 16.5 p -59.48 -29.1 67.59 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.046 -0.525 . . . . 0.97 111.648 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 1.8 p-10 -71.33 -19.25 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 2.57 111.349 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.81 6.69 69.55 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.957 -0.64 . . . . 1.07 113.117 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.484 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 5.9 t70 -88.8 -50.95 5.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.929 0.395 . . . . 2.64 111.101 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.571 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 9.8 mttp -88.61 126.8 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.546 . . . . 1.2 111.571 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.5 t -138.41 125.23 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.738 -0.838 . . . . 0.83 108.738 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 19.2 m-70 -128.4 117.22 21.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.784 -0.451 . . . . 0.33 109.784 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -105.71 116.33 31.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.728 0.775 . . . . 0.32 112.046 -173.439 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -102.01 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.685 -1.143 . . . . 0.23 110.3 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.43 118.11 14.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 175.092 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.2 -17.41 63.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.02 -0.991 . . . . 1.24 113.368 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 20.0 t -71.4 -9.23 57.83 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.045 -0.262 . . . . 1.08 111.193 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 3.14 42.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.059 0.457 . . . . 0.36 110.467 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 36.7 mm -100.05 145.24 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.916 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t70 -103.32 -48.82 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.419 -0.81 . . . . 0.7 111.123 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -136.67 172.81 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 1.56 109.979 -174.603 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 108' ' ' ILE . 1.7 pt? -145.17 150.38 36.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.051 -0.522 . . . . 1.37 109.6 166.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 56.9 mt-30 -126.24 148.14 49.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.991 -0.374 . . . . 2.28 109.991 -177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.43 134.86 24.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.43 110.198 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.55 111.754 -177.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 121.352 0.596 . . . . 2.29 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.612 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -102.7 113.08 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.244 -0.889 . . . . 1.13 110.431 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.5 tpp -141.12 139.01 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.63 111.498 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD11 ' HG2' ' A' ' 101' ' ' LYS . 2.2 mm? -121.08 154.9 35.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.845 -0.616 . . . . 0.48 109.609 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 80.6 mtt180 -126.09 150.58 48.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.168 -0.469 . . . . 2.37 111.068 171.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.769 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.1 mm? -111.17 114.46 27.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.354 -0.98 . . . . 0.7 108.354 168.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.607 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -99.11 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.586 -0.524 . . . . 0.41 109.586 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.75 156.32 53.4 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.127 -1.035 . . . . 0.37 112.812 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 23.6 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 1.16 111.187 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 109.164 -0.68 . . . . 2.01 109.164 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HG2' HD13 ' A' ' 63' ' ' ILE . 97.3 mtt180 -103.27 162.99 12.53 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.859 0.838 . . . . 2.24 112.551 -174.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 39.7 m80 -136.05 127.61 28.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.927 -1.488 . . . . 0.6 108.103 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.0 ttm -118.54 136.98 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.044 -0.662 . . . . 0.73 111.628 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' HD23 ' A' ' 62' ' ' LEU . 3.2 m-85 -128.7 129.96 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.316 -0.856 . . . . 0.94 111.606 -175.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 14.4 t -100.44 129.21 46.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 1.3 110.012 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.5 m-85 -109.69 179.77 4.03 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.463 -0.569 . . . . 0.32 109.463 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -120.2 20.88 11.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.87 -0.605 . . . . 1.17 111.252 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.641 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.3 t-20 -166.92 138.34 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.597 0.237 . . . . 1.62 110.54 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.0 OUTLIER -80.03 -24.1 41.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.981 0.363 . . . . 3.68 111.981 -176.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.641 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 19.2 m -64.56 -44.57 90.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.357 -0.609 . . . . 0.5 109.357 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 91' ' ' PHE . 54.3 t -51.78 -53.18 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 115.716 -0.674 . . . . 0.27 109.985 169.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.612 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.1 mtp -43.5 -64.99 0.55 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.603 0.565 . . . . 0.84 112.297 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' LYS . 38.9 t70 -55.29 -35.33 64.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.734 0.302 . . . . 0.67 111.615 -174.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -69.36 -57.4 5.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 1.55 110.902 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.784 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.3 mm -56.44 -46.01 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.012 -0.366 . . . . 0.22 110.012 176.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HG2' HD11 ' A' ' 60' ' ' LEU . 39.0 mtpt -47.08 -63.75 0.96 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.432 0.634 . . . . 0.92 110.685 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.5 mtm -58.43 -49.82 75.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.6 -1.182 . . . . 1.41 112.01 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 3' ' ' HIS . 93.8 m -49.84 -52.11 34.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.144 0.497 . . . . 0.27 111.106 -178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -70.88 -53.38 15.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.507 -0.77 . . . . 1.03 109.683 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -49.4 -48.87 46.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.43 -0.805 . . . . 1.72 111.978 -176.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 56.3 mt-30 -64.15 -45.99 86.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.782 -0.19 . . . . 2.21 111.313 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.3 mt -65.21 -42.98 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.76 0.314 . . . . 0.39 110.374 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 48' ' ' LEU . 96.4 mt -57.58 -44.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.4 109.889 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.2 t -59.84 -34.33 72.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.756 -0.656 . . . . 1.32 110.725 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.7 mtt180 -60.8 -38.36 85.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 2.87 110.864 177.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.499 ' CE2' HG22 ' A' ' 107' ' ' ILE . 23.1 m-85 . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.257 0.551 . . . . 2.75 110.123 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.492 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.3 m80 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 113.321 0.86 . . . . 0.61 113.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 35.5 p -141.99 162.93 34.24 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 113.232 0.827 . . . . 0.28 113.232 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.64 152.84 7.34 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.057 -1.429 . . . . 0.15 110.972 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.98 116.97 8.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.324 0.583 . . . . 0.19 112.512 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.781 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.32 176.13 7.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.901 -1.045 . . . . 0.16 110.037 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -131.25 137.25 56.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.555 0.217 . . . . 0.36 110.701 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 42.5 t80 -150.27 132.93 15.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.099 -0.704 . . . . 0.39 109.099 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 55.0 mt-10 63.11 40.68 8.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.126 0.489 . . . . 1.33 111.766 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.7 mptp? 62.68 5.29 1.66 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.94 -1.027 . . . . 2.23 113.416 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -113.68 148.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.375 -0.602 . . . . 0.26 109.375 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 12.7 t -97.2 156.01 16.6 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.791 -0.64 . . . . 1.29 111.519 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.4 -149.27 7.49 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.428 -0.805 . . . . 0.17 112.698 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -122.04 143.08 35.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.622 -0.51 . . . . 0.18 109.622 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.624 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.11 134.11 40.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 107.235 -1.395 . . . . 0.17 107.235 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.92 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.888 0.375 . . . . 0.15 111.752 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -87.27 122.29 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.23 109.829 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -110.72 128.86 55.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 1.36 110.95 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -122.97 72.32 1.09 Allowed 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 107.736 -1.209 . . . . 1.47 107.736 167.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -111.34 -23.4 10.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.076 1.417 . . . . 3.67 108.335 167.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 m -107.66 -169.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 112.075 -2.329 . . . . 0.9 111.745 -163.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.78 170.66 13.43 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 104.823 -2.288 . . . . 1.23 104.823 172.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -31.88 126.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.919 2.413 . . . . 0.56 114.09 -147.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.4 139.22 0.79 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 113.381 -1.736 . . . . 0.27 112.349 -166.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.2 mt-10 -114.09 151.47 32.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.111 -0.495 . . . . 0.69 110.036 -176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -104.44 128.41 52.33 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.88 -1.156 . . . . 0.59 107.88 170.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -124.04 107.72 11.6 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.126 -0.488 . . . . 0.22 110.661 -172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.9 t90 -92.15 124.24 36.09 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.948 -0.76 . . . . 0.22 108.948 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.778 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.0 ptt180 -128.1 123.64 35.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.545 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.564 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 62.1 p -58.66 143.19 47.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.451 0.643 . . . . 0.27 111.267 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.489 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 5.8 t -78.64 -7.49 57.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.642 1.21 . . . . 0.97 107.783 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 21.28 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.219 -1.809 . . . . 2.57 112.9 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 23.91 5.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.847 -1.168 . . . . 1.07 113.776 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 t70 71.9 66.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.036 0.922 . . . . 2.64 112.76 165.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.778 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 33.3 tttp -90.43 118.06 29.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.586 -1.264 . . . . 1.2 107.586 165.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' HB3' ' A' ' 30' ' ' ARG . 16.4 t -112.85 130.3 66.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 121.315 0.579 . . . . 0.83 111.735 -167.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.681 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.7 m-70 -131.95 121.35 23.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.331 -0.988 . . . . 0.33 108.331 175.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 26' ' ' GLU . 1.5 m -111.23 134.8 52.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.286 0.565 . . . . 0.32 111.718 -170.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 38.8 t -122.34 104.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.23 111.079 -175.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.53 115.72 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.253 -0.647 . . . . 0.63 109.253 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 104' ' ' LEU . 30.3 mt -65.25 -21.27 66.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.89 1.07 . . . . 1.24 113.89 -169.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 p -67.69 -18.28 64.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.08 111.012 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -97.56 8.97 43.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.36 110.332 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.6 mm -104.45 138.47 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.36 110.139 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -98.94 -45.64 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.002 0.43 . . . . 0.7 110.834 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.661 ' HB3' HG13 ' A' ' 63' ' ' ILE . 6.1 mmtt -133.78 175.34 9.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.403 0.621 . . . . 1.56 110.547 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 134.39 21.79 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.077 -0.965 . . . . 1.37 109.36 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 51.7 mt-30 -123.78 139.82 53.6 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.85 -0.614 . . . . 2.28 110.453 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 101' ' ' LYS . . . -138.98 154.41 48.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.449 -0.341 . . . . 0.43 110.463 -177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.55 111.743 -179.481 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.27 0.557 . . . . 2.29 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 23.2 mtm -118.67 112.98 20.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.698 . . . . 1.13 110.951 -171.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -140.91 142.28 34.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.593 -0.731 . . . . 0.63 111.214 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -123.93 143.57 50.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.695 -0.684 . . . . 0.48 109.427 168.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 60.4 mtt180 -119.98 146.05 46.21 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.639 -0.71 . . . . 2.37 110.965 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -109.65 107.51 17.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.452 -1.249 . . . . 0.7 108.083 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.8 mm -88.89 99.19 8.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 108.733 -0.84 . . . . 0.41 108.733 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.27 152.29 52.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.234 -0.984 . . . . 0.37 112.953 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttt . . . . . 0 CA--C 1.504 -0.797 0 CA-C-O 121.729 0.776 . . . . 1.16 112.022 -178.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.426 -0.583 . . . . 2.01 109.426 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 63' ' ' ILE . 49.8 mtt85 -97.36 150.36 21.07 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.846 0.831 . . . . 2.24 112.205 -175.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 55.7 m-70 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 113.985 -1.461 . . . . 0.6 108.15 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.8 ttm -116.39 130.08 56.58 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.211 -0.595 . . . . 0.73 111.349 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -125.22 138.75 54.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.94 110.143 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 5.2 t -110.65 134.23 52.62 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.42 -0.355 . . . . 1.3 110.963 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.781 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 53.1 m-85 -113.84 177.28 4.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.168 0.509 . . . . 0.32 109.802 173.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -134.72 21.65 3.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.52 -0.764 . . . . 1.17 110.278 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -140.46 125.01 17.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.753 -0.832 . . . . 1.62 108.753 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 94' ' ' ARG . 10.6 tpt180 -70.61 -39.32 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 3.68 111.469 -168.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.5 m -61.51 -46.5 89.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.335 -0.393 . . . . 0.5 110.234 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.2 t -47.73 -60.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.27 111.55 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.693 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptm -58.83 -48.71 80.37 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.359 -0.536 . . . . 0.84 111.538 -174.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.693 ' N ' ' HG3' ' A' ' 97' ' ' MET . 35.3 t70 -59.18 -36.65 75.71 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.837 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.28 -49.17 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 1.55 110.321 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 96' ' ' VAL . 46.2 mm -54.94 -44.29 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.255 0.55 . . . . 0.22 109.61 172.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.679 ' HG3' HD11 ' A' ' 60' ' ' LEU . 19.5 ttmt -47.34 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.527 -1.215 . . . . 0.92 110.34 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -58.49 -47.65 83.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.505 -1.225 . . . . 1.41 111.76 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 3' ' ' HIS . 99.4 m -49.75 -50.97 42.36 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.531 0.52 . . . . 0.27 110.948 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 27' ' ' LEU . 40.5 mt -69.55 -55.75 9.27 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.804 -0.634 . . . . 1.03 111.035 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -50.49 -46.98 57.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.635 -1.166 . . . . 1.72 111.86 -176.45 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 82.7 mm-40 -68.92 -42.54 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 2.21 111.777 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.636 HG21 ' HB3' ' A' ' 25' ' ' ALA . 73.1 mt -62.98 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.735 -0.386 . . . . 0.39 110.038 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.16 -47.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.4 110.148 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.1 t -63.07 -31.69 72.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.644 -0.707 . . . . 1.32 110.986 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -63.3 -37.35 86.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.929 0.395 . . . . 2.87 110.725 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 2.75 110.02 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.636 ' HA ' HG21 ' A' ' 103' ' ' THR . 71.0 m80 . . . . . 0 C--O 1.222 -0.355 0 N-CA-C 113.652 0.982 . . . . 0.61 113.652 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 10.7 p -148.92 160.14 43.54 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.051 0.76 . . . . 0.28 113.051 -174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.49 153.44 9.66 Favored Glycine 0 N--CA 1.441 -1.012 0 CA-C-N 114.0 -1.454 . . . . 0.15 110.27 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.38 115.0 6.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.289 0.566 . . . . 0.19 111.95 -173.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.776 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.97 175.5 6.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.16 110.181 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.2 138.71 52.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.306 . . . . 0.36 110.175 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.9 t80 -148.83 127.13 12.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.198 -0.667 . . . . 0.39 109.198 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.0 mt-10 67.49 40.7 2.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.219 0.533 . . . . 1.33 110.91 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.79 -7.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.727 -1.124 . . . . 2.23 113.407 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -98.91 146.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.26 109.599 175.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 25.3 t -97.24 156.82 16.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.399 -0.818 . . . . 1.29 111.691 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.47 -145.07 5.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 114.74 -1.118 . . . . 0.17 111.475 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.26 145.16 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.952 -0.388 . . . . 0.18 109.952 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.1 132.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.243 -1.392 . . . . 0.17 107.243 170.524 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.52 111.16 6.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.811 0.339 . . . . 0.15 111.709 -171.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -89.99 124.25 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.367 0.603 . . . . 0.23 110.581 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -106.89 125.98 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.86 -1.064 . . . . 1.36 110.626 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 31.9 mt-10 -124.22 73.52 1.24 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.818 -0.753 . . . . 1.47 108.992 168.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -112.73 -22.69 10.59 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 122.984 1.374 . . . . 3.67 108.436 162.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 -170.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 112.104 -2.316 . . . . 0.9 111.871 -160.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 27.4 p -74.22 170.62 14.01 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 105.773 -1.936 . . . . 1.23 105.773 173.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.572 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -33.73 126.49 0.16 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.715 2.277 . . . . 0.56 113.848 -145.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.67 133.16 2.07 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.864 -1.516 . . . . 0.27 112.105 -166.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.92 149.22 39.06 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-O 121.339 0.59 . . . . 0.69 110.361 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 18' ' ' ILE . 1.2 tt -103.1 129.38 49.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.12 -0.945 . . . . 0.59 108.886 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -122.0 107.41 12.2 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 116.199 -0.455 . . . . 0.22 111.019 -171.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 83.1 t90 -91.85 124.49 36.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.818 -0.753 . . . . 0.22 108.979 172.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.825 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -128.45 133.95 48.64 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.602 -0.726 . . . . 1.93 109.776 176.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 94.5 p -62.2 164.05 7.45 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.557 0.536 . . . . 0.27 110.966 -175.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -57.31 -32.66 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.982 0.42 . . . . 0.97 111.119 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.52 -30.52 70.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 2.57 110.584 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.69 2.1 58.66 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.783 -0.644 . . . . 1.07 112.53 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -86.87 -55.86 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.717 0.294 . . . . 2.64 111.766 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.756 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 18.4 tttt -72.38 118.63 15.52 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.621 -0.511 . . . . 1.2 109.621 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.825 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 t -132.16 132.55 60.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.771 -0.649 . . . . 0.83 109.439 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.528 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 4.4 m80 -132.53 121.17 22.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.736 -0.838 . . . . 0.33 108.736 177.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 119.37 38.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.576 0.703 . . . . 0.32 112.14 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 t -106.59 102.16 13.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.693 -1.139 . . . . 0.23 110.714 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.92 118.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 0.63 109.413 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.64 -14.32 57.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.717 -1.129 . . . . 1.24 113.137 -169.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.572 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 23.1 t -66.13 -23.42 66.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.945 0.402 . . . . 1.08 110.95 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -93.01 -3.42 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.691 . . . . 0.36 110.042 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.4 mm -94.74 136.87 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.966 -1.015 . . . . 0.36 110.186 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -92.66 -50.06 5.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.926 -0.398 . . . . 0.7 109.926 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 63' ' ' ILE . 47.4 tptt -134.32 167.78 20.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.426 0.631 . . . . 1.56 110.593 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -143.26 152.61 41.9 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.439 -0.948 . . . . 1.37 108.439 166.574 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -155.67 148.8 24.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.739 -0.664 . . . . 2.28 110.277 -170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' HB1' ' CE ' ' A' ' 97' ' ' MET . . . -111.9 167.57 10.27 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.475 -0.33 . . . . 0.43 110.322 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.4 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.55 111.53 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt . . . . . 0 C--O 1.235 0.309 0 CA-C-O 121.31 0.576 . . . . 2.29 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.606 ' HB3' ' SD ' ' A' ' 97' ' ' MET . 1.3 mpt? -103.04 124.67 48.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.621 -0.718 . . . . 1.13 110.711 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -153.39 139.76 18.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.733 -0.667 . . . . 0.63 111.289 -176.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -112.75 142.44 45.38 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.466 -0.568 . . . . 0.48 109.466 168.429 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 65.4 mtm180 -105.34 144.55 31.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.74 -0.664 . . . . 2.37 111.492 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.3 mm? -113.12 103.66 11.58 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.715 -1.13 . . . . 0.7 109.138 170.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.98 100.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 110.133 -0.321 . . . . 0.41 110.133 -175.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.62 150.67 45.21 Favored Glycine 0 C--N 1.319 -0.388 0 C-N-CA 120.206 -0.997 . . . . 0.37 111.955 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mttt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 121.98 0.895 . . . . 1.16 111.87 -177.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 121.445 0.64 . . . . 2.01 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 4.0 ptt-85 -117.25 157.02 26.75 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.228 -0.896 . . . . 2.24 111.07 -172.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 70.8 m-70 -118.1 134.14 55.26 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.419 -0.956 . . . . 0.6 108.419 -176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.537 ' HG2' ' HG2' ' A' ' 61' ' ' ARG . 54.1 mtt -117.44 124.23 48.32 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.626 -0.429 . . . . 0.73 111.434 -176.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.16 132.59 55.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.94 109.592 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 7.6 t -99.75 132.82 44.85 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 120.932 0.396 . . . . 1.3 111.582 -174.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.776 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 73.9 m-85 -112.74 179.5 3.96 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.799 -0.815 . . . . 0.32 108.799 172.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.603 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 5.6 p30 -131.52 31.28 4.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.256 0.55 . . . . 1.17 110.464 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -157.06 124.98 5.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.243 -0.651 . . . . 1.62 109.243 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -68.42 -31.49 70.86 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.292 -0.413 . . . . 3.68 110.649 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.6 m -59.45 -53.11 61.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.066 -0.516 . . . . 0.5 110.083 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.07 -48.95 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.756 -0.656 . . . . 0.27 110.734 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.606 ' SD ' ' HB3' ' A' ' 58' ' ' MET . 31.3 mtp -50.28 -48.42 54.99 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.84 111.953 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 24.1 t70 -69.07 -37.3 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.67 110.905 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.28 -53.76 50.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.369 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.8 mm -62.09 -40.29 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.22 109.989 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 31.0 mtmt -51.72 -63.69 1.05 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.042 0.448 . . . . 0.92 110.405 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.7 ttp -55.36 -47.94 75.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.934 -1.03 . . . . 1.41 112.212 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 3' ' ' HIS . 90.5 m -52.81 -55.95 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.27 111.111 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.8 mp -69.14 -48.63 61.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.713 -0.676 . . . . 1.03 109.215 -174.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.625 ' HA ' HD11 ' A' ' 48' ' ' LEU . 16.3 tm0? -48.75 -54.39 15.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.871 -1.058 . . . . 1.72 111.915 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 21.8 mm-40 -65.74 -47.38 75.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.155 0.428 . . . . 2.21 112.155 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 25' ' ' ALA . 49.0 mt -62.7 -43.56 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.39 110.27 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.2 mt -57.66 -47.79 84.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.4 110.597 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.0 m -66.35 -25.66 66.92 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.928 -0.578 . . . . 1.32 111.571 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.4 mtt180 -60.8 -34.0 73.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.118 0.485 . . . . 2.87 110.037 172.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CE2' HG22 ' A' ' 107' ' ' ILE . 16.7 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 2.75 110.542 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.413 ' HA ' HG21 ' A' ' 103' ' ' THR . 46.3 m80 . . . . . 0 CA--C 1.515 -0.377 0 N-CA-C 111.625 0.232 . . . . 0.61 111.625 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.8 p -143.87 163.18 34.12 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.652 0.739 . . . . 0.28 112.81 -174.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.73 150.59 8.11 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.128 -1.396 . . . . 0.15 110.223 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.76 123.28 19.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.359 0.599 . . . . 0.19 111.592 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.619 ' HA ' ' O ' ' A' ' 90' ' ' SER . . . -133.68 174.05 10.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.918 -1.037 . . . . 0.16 110.164 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.671 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.47 138.85 52.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.464 0.306 . . . . 0.36 110.312 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 37.8 t80 -147.5 133.63 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.99 -0.744 . . . . 0.39 108.99 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 43.3 mt-10 61.83 37.94 15.08 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.289 0.566 . . . . 1.33 111.187 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.35 0.14 1.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.701 -1.136 . . . . 2.23 113.08 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -105.34 147.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.48 -0.563 . . . . 0.26 109.48 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.671 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t -96.5 155.25 16.85 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.612 -0.722 . . . . 1.29 111.763 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.55 -150.3 7.65 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.006 -0.997 . . . . 0.17 111.589 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.01 145.83 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.18 109.821 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.6 133.82 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.315 -1.365 . . . . 0.17 107.315 172.392 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.95 107.72 5.37 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.14 0.422 . . . . 0.15 112.14 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -85.51 125.1 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.305 -0.628 . . . . 0.23 109.305 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -117.57 122.11 42.76 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.587 -0.733 . . . . 1.36 111.225 -172.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -118.96 71.61 0.86 Allowed 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 108.037 -1.097 . . . . 1.47 108.037 169.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -112.64 -23.17 10.37 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.221 1.486 . . . . 3.67 108.482 165.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.49 -168.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 111.759 -2.473 . . . . 0.9 111.62 -161.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 11.1 m -72.52 170.49 12.89 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 105.596 -2.002 . . . . 1.23 105.596 173.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.0 Cg_exo -34.31 126.76 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.77 2.313 . . . . 0.56 113.596 -148.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.06 134.89 0.99 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 113.817 -1.538 . . . . 0.27 112.484 -166.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.77 151.24 41.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.084 0.469 . . . . 0.69 110.354 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.09 128.71 49.88 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.537 -0.912 . . . . 0.59 108.537 177.281 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -121.99 107.81 12.67 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 116.104 -0.498 . . . . 0.22 110.895 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 78.9 t90 -90.18 128.26 36.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.97 -0.752 . . . . 0.22 108.97 173.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.6 ptt85 -132.52 126.63 33.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.116 -0.493 . . . . 1.93 110.738 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -59.03 151.37 22.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 0.27 110.339 -177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.4 HG23 ' HA2' ' A' ' 14' ' ' GLY . 38.5 p -56.9 -23.71 46.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.464 -0.789 . . . . 0.97 112.41 -170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.53 -28.59 59.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.082 0.467 . . . . 2.57 110.836 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.28 16.2 33.11 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.998 -0.546 . . . . 1.07 112.186 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.69 -55.37 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 2.64 111.686 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.669 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.6 tttp -90.16 120.35 31.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.445 0.64 . . . . 1.2 110.95 -171.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.2 t -131.12 132.61 63.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.698 -1.137 . . . . 0.83 109.759 -175.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 8.6 m-70 -132.7 123.4 26.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.765 -0.828 . . . . 0.33 108.765 176.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.74 128.46 55.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.373 0.606 . . . . 0.32 111.627 -172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -116.37 101.25 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.23 110.588 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.5 OUTLIER -71.41 120.9 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.63 109.174 175.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.059 -0.973 . . . . 1.24 113.477 -165.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -67.3 -10.52 51.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.693 0.282 . . . . 1.08 111.649 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -96.03 -7.01 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.708 0.289 . . . . 0.36 110.628 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.5 mm -100.26 142.25 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-O 121.213 0.53 . . . . 0.36 111.479 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 13.4 t70 -106.03 -48.77 3.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.274 -0.875 . . . . 0.7 111.08 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB3' HG13 ' A' ' 63' ' ' ILE . 43.1 tptt -134.32 173.77 11.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.529 0.681 . . . . 1.56 110.703 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.604 HD13 ' HG2' ' A' ' 105' ' ' GLN . 4.4 mp -129.29 157.69 41.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.084 -0.962 . . . . 1.37 109.751 171.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.591 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -130.68 138.28 49.97 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.12 -0.946 . . . . 2.28 108.695 173.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.727 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -142.68 134.61 27.05 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.299 -0.409 . . . . 0.43 110.031 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.574 -0.739 . . . . 0.55 111.819 -176.676 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.778 0.323 . . . . 2.29 111.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 91' ' ' PHE . 3.1 mpp? -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.173 -0.467 . . . . 1.13 110.383 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 tpp -152.19 134.26 14.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 0.63 111.873 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -115.96 146.91 41.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.48 109.419 171.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . 60.4 mtt180 -120.89 147.84 44.86 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.119 0.485 . . . . 2.37 110.091 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 2.7 mm? -111.98 102.25 10.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.149 -0.932 . . . . 0.7 108.531 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.3 mm -87.54 100.42 10.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 120.651 -0.42 . . . . 0.41 110.579 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -65.81 152.26 51.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.425 -0.893 . . . . 0.37 112.452 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 21.3 mtpt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.077 0.465 . . . . 1.16 110.255 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 108.741 -0.837 . . . . 2.01 108.741 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.3 ptt180 -123.02 154.6 38.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.902 -0.59 . . . . 2.24 111.228 -170.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 87.2 m-70 -102.4 156.09 17.82 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.9 ttm -131.0 131.51 44.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.655 -0.418 . . . . 0.73 110.95 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.52 141.15 49.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.94 110.364 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.619 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.9 t -109.44 133.06 53.54 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 110.433 -0.21 . . . . 1.3 110.433 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.618 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.5 m-85 -112.42 178.36 4.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.32 109.578 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.22 7.46 12.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.983 -0.553 . . . . 1.17 111.519 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -141.29 138.72 33.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.624 0.249 . . . . 1.62 110.886 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 3.3 mpt_? -67.4 -38.86 85.3 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.037 -0.528 . . . . 3.68 110.676 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 m -60.5 -50.02 75.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.657 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.99 -53.03 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.061 -0.518 . . . . 0.27 110.731 173.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.458 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 25.9 mtp -46.83 -58.47 3.88 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 112.155 0.428 . . . . 0.84 112.155 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.0 t70 -67.04 -36.95 83.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.408 -0.36 . . . . 0.67 111.368 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -66.95 -53.24 33.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.462 -0.335 . . . . 1.55 110.581 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' A' ' 104' ' ' LEU . 48.3 mm -59.08 -41.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.22 109.945 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.727 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 39.4 mtmt -50.53 -61.6 2.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.92 110.787 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -60.47 -47.42 86.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 1.41 111.736 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 107' ' ' ILE . 94.7 m -52.85 -52.6 56.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.27 110.7 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 48' ' ' LEU . 63.5 mt -60.88 -59.72 4.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.75 -0.659 . . . . 1.03 111.275 177.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.1 tm0? -53.14 -45.9 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.834 -1.075 . . . . 1.72 112.743 -172.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.94 -42.66 84.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.82 0.304 . . . . 2.21 111.82 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.722 HG21 ' HB3' ' A' ' 25' ' ' ALA . 52.1 mt -66.58 -41.0 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.67 -0.493 . . . . 0.39 109.67 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 48' ' ' LEU . 31.0 mt -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.711 -0.677 . . . . 0.4 110.209 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 m -61.57 -29.48 70.05 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.752 -0.658 . . . . 1.32 111.365 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.6 mtt180 -68.37 -28.41 67.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.707 0.289 . . . . 2.87 111.308 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.2 m-85 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.66 0.743 . . . . 2.75 109.673 176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.404 ' HA ' HG21 ' A' ' 103' ' ' THR . 23.9 m80 . . . . . 0 C--O 1.225 -0.235 0 N-CA-C 111.667 0.247 . . . . 0.61 111.667 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 23.0 p -147.92 165.79 29.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.847 0.832 . . . . 0.28 113.119 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.24 8.58 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 114.026 -1.443 . . . . 0.15 110.108 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.51 116.36 8.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.309 0.576 . . . . 0.19 111.867 -173.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.803 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.77 175.86 6.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.134 -0.939 . . . . 0.16 110.156 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.47 138.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.968 -0.382 . . . . 0.36 109.968 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.6 t80 -148.78 128.9 13.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.623 -0.51 . . . . 0.39 109.623 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.602 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.8 mt-10 64.13 41.86 5.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.482 0.658 . . . . 1.33 110.992 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.44 0.48 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.398 -1.274 . . . . 2.23 113.257 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.529 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -108.7 147.85 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.33 -0.618 . . . . 0.26 109.33 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.6 m -94.34 156.82 16.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.988 -0.551 . . . . 1.29 111.624 -177.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.513 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -174.22 -148.97 6.8 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.712 . . . . 0.17 111.776 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.624 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.53 145.29 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.751 -0.462 . . . . 0.18 109.751 174.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.34 134.56 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.442 -1.318 . . . . 0.17 107.442 172.035 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.62 110.37 6.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.825 0.345 . . . . 0.15 111.871 -171.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -90.17 128.13 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.177 0.513 . . . . 0.23 110.253 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -117.01 120.41 38.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.44 -0.8 . . . . 1.36 111.02 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 18.9 mt-10 -116.74 71.34 0.79 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 107.721 -1.214 . . . . 1.47 107.721 168.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -112.35 -20.42 11.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 123.269 1.509 . . . . 3.67 108.186 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 m -110.14 -169.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 111.782 -2.463 . . . . 0.9 111.685 -163.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.538 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 36.4 p -73.08 170.1 15.11 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 105.437 -2.06 . . . . 1.23 105.437 172.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 72.3 Cg_exo -33.22 126.55 0.13 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.789 2.326 . . . . 0.56 114.01 -147.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.21 129.27 0.38 Allowed 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 125.492 1.745 . . . . 0.27 112.47 -169.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.5 mt-10 -115.33 144.34 43.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.942 -0.703 . . . . 0.69 109.534 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 18' ' ' ILE . 1.1 tt -103.41 127.4 50.79 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.212 -0.904 . . . . 0.59 108.784 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.5 m -119.05 108.03 14.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.792 -0.64 . . . . 0.22 110.83 -171.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.5 t90 -92.48 124.99 36.92 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.045 -0.724 . . . . 0.22 109.045 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 37' ' ' VAL . 3.2 ptt-85 -127.21 128.5 46.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.86 -0.609 . . . . 1.93 110.556 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.6 p -59.69 151.89 23.92 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.596 -0.729 . . . . 0.27 109.929 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HA2' ' A' ' 14' ' ' GLY . 18.5 p -57.77 -21.75 43.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.347 0.499 . . . . 0.97 112.347 -172.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.36 -28.77 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 2.57 110.659 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.25 3.11 55.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.137 -0.554 . . . . 1.07 112.434 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.33 -47.23 8.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.64 111.618 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.8 tttp -93.02 120.74 33.64 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.26 0.553 . . . . 1.2 110.994 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.7 t -134.96 135.41 52.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 114.941 -1.027 . . . . 0.83 109.589 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -135.56 126.5 27.68 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.078 -0.712 . . . . 0.33 109.078 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -111.87 117.85 33.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.734 0.778 . . . . 0.32 111.609 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 39.8 t -103.27 102.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.65 -1.159 . . . . 0.23 110.431 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.25 110.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.708 0.766 . . . . 0.63 109.287 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -49.69 -31.76 11.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 115.166 1.543 . . . . 1.24 115.166 -172.383 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 m -63.36 -4.35 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 119.303 0.956 . . . . 1.08 112.365 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -101.76 -3.22 28.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.628 -0.508 . . . . 0.36 109.628 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 19.7 mm -91.99 146.27 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.564 -0.744 . . . . 0.36 109.939 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -103.48 -43.06 5.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.167 0.508 . . . . 0.7 110.354 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 21.1 tptm -143.94 171.35 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.964 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 108' ' ' ILE . 1.5 pt? -132.31 149.15 52.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.688 -0.856 . . . . 1.37 108.688 166.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' CG ' HD11 ' A' ' 63' ' ' ILE . 13.6 mm100 -135.29 139.15 44.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.637 -0.505 . . . . 2.28 109.637 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -122.41 150.05 42.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.439 -0.346 . . . . 0.43 110.087 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.512 0.56 . . . . 0.55 112.512 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.037 0.446 . . . . 2.29 110.628 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 97' ' ' MET . 3.3 mpp? -70.22 118.14 12.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.145 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.0 tpp -152.93 136.83 16.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.63 111.682 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.4 mm? -121.44 146.03 47.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.319 -0.623 . . . . 0.48 109.319 169.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -116.78 142.47 46.87 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.31 0.576 . . . . 2.37 111.384 174.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -105.56 108.12 19.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.932 -1.136 . . . . 0.7 107.932 173.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.597 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.9 mm -87.98 97.98 7.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.661 -0.866 . . . . 0.41 108.661 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.84 147.02 42.62 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 119.943 -1.122 . . . . 0.37 111.862 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.3 mttt . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.825 0.822 . . . . 1.16 112.218 -177.261 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.139 0.495 . . . . 2.01 109.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.597 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.2 mtm180 -102.67 134.93 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 112.918 0.71 . . . . 2.24 112.918 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.612 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 12.7 m-70 -102.71 119.55 39.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.101 -1.444 . . . . 0.6 107.101 173.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 34.1 ttm -110.05 128.38 55.39 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.237 -0.585 . . . . 0.73 110.904 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 62' ' ' LEU . 27.8 m-85 -124.69 137.5 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.122 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.0 t -105.11 134.3 48.45 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.582 -0.281 . . . . 1.3 110.86 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.803 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.6 m-85 -111.87 178.17 4.41 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.085 -0.709 . . . . 0.32 109.085 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -135.69 26.94 3.36 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.884 -0.598 . . . . 1.17 110.704 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.22 139.68 35.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.62 110.192 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -71.09 -37.45 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 3.68 110.869 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.6 m -72.14 -47.23 52.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.5 111.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.9 t -47.08 -46.98 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.223 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 58' ' ' MET . 65.8 mmm -44.24 -65.64 0.49 Allowed 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.432 0.458 . . . . 0.84 112.23 172.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.46 -35.43 72.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.522 0.514 . . . . 0.67 111.241 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -67.2 -59.41 3.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.433 -0.349 . . . . 1.55 110.749 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -58.21 -41.52 81.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.22 110.114 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 60' ' ' LEU . 48.9 mtpt -50.76 -64.33 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.92 110.613 175.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 37.8 ttp -56.03 -50.97 69.43 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.872 -1.058 . . . . 1.41 112.27 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 3' ' ' HIS . 78.7 m -49.95 -54.19 21.47 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.358 0.599 . . . . 0.27 111.337 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -67.41 -51.79 47.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.178 -0.919 . . . . 1.03 109.414 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.558 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -49.56 -46.76 49.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.024 -0.989 . . . . 1.72 112.27 -177.384 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.605 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 51.9 mt-30 -64.31 -44.7 90.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.351 0.13 . . . . 2.21 111.351 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.519 HG21 ' HB3' ' A' ' 25' ' ' ALA . 40.4 mt -65.26 -42.76 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.39 110.16 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 62.8 mt -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.833 -0.622 . . . . 0.4 109.919 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 t -58.37 -31.32 67.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.369 -0.378 . . . . 1.32 110.253 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 92.7 mtt180 -62.28 -50.25 72.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.156 -0.474 . . . . 2.87 110.516 176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 8.6 p90 . . . . . 0 C--N 1.332 -0.17 0 C-N-CA 120.355 -0.538 . . . . 2.75 111.915 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' HG21 ' A' ' 103' ' ' THR . 21.8 m80 . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 111.693 0.257 . . . . 0.61 111.693 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 37.4 p -146.06 171.38 14.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.489 0.662 . . . . 0.28 112.501 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.53 146.93 5.1 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 114.394 -1.275 . . . . 0.15 110.359 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.01 118.02 9.88 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.305 0.574 . . . . 0.19 111.477 -172.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.04 174.0 8.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.16 110.057 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.38 129.65 62.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.356 -0.384 . . . . 0.36 110.009 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.621 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 43.6 t80 -143.77 132.51 22.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.39 109.019 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.621 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 45.9 mt-10 66.48 29.6 9.05 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.601 0.715 . . . . 1.33 110.33 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 69.0 -0.4 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.177 -1.374 . . . . 2.23 112.95 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -100.85 148.72 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.914 -0.773 . . . . 0.26 108.914 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 11.2 t -95.3 152.97 17.91 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.725 -0.67 . . . . 1.29 111.952 -175.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.39 -150.21 7.35 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.84 -1.073 . . . . 0.17 111.559 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.07 145.66 29.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.796 -0.446 . . . . 0.18 109.796 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.04 130.59 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 106.943 -1.503 . . . . 0.17 106.943 170.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.11 110.09 6.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 0.15 112.051 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -91.12 123.41 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.204 0.526 . . . . 0.23 110.746 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -108.92 124.91 51.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.925 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 26.4 mt-10 -120.74 72.42 0.96 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 107.558 -1.275 . . . . 1.47 107.558 167.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.62 -24.35 9.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.126 1.441 . . . . 3.67 108.38 166.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.23 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 112.085 -2.325 . . . . 0.9 112.044 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 15.7 p -73.49 170.79 12.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 N-CA-C 105.684 -1.969 . . . . 1.23 105.684 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.7 Cg_exo -33.7 125.58 0.15 Allowed 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.53 2.153 . . . . 0.56 113.751 -145.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.88 132.03 1.29 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 113.651 -1.613 . . . . 0.27 112.499 -167.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 5.2 mt-10 -118.02 146.04 44.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.206 0.527 . . . . 0.69 109.965 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -103.44 129.13 50.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.406 -0.815 . . . . 0.59 109.126 -178.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.2 m -118.27 107.03 13.4 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 120.586 -0.446 . . . . 0.22 110.952 -173.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -88.45 118.95 28.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.078 -1.082 . . . . 0.22 108.078 169.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.71 ' CB ' HG22 ' A' ' 37' ' ' VAL . 22.0 ptt180 -128.71 130.71 47.5 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.849 -0.614 . . . . 1.93 109.509 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.4 p -64.78 158.45 24.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.877 -0.602 . . . . 0.27 110.995 -171.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.2 p -55.84 -37.9 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.97 110.921 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.73 -29.14 69.04 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.911 -0.586 . . . . 2.57 111.438 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.89 -0.07 66.77 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.449 -0.661 . . . . 1.07 111.449 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.28 -40.73 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.124 0.487 . . . . 2.64 110.649 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 14.0 mttt -95.29 130.25 42.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 1.2 110.901 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.7 t -144.06 123.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.532 -0.914 . . . . 0.83 108.532 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' THR . 12.4 m-70 -128.69 125.27 37.64 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.393 -0.595 . . . . 0.33 109.393 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.64 120.48 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.527 0.679 . . . . 0.32 112.109 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 28.5 t -104.61 101.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.869 -1.06 . . . . 0.23 110.543 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -73.54 119.26 20.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.632 0.73 . . . . 0.63 109.383 175.771 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 45' ' ' ILE . 53.2 mt -67.87 -13.89 62.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.024 1.12 . . . . 1.24 114.024 -165.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 p -70.97 -14.49 62.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.901 0.382 . . . . 1.08 111.1 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -92.94 -3.13 55.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.318 0.58 . . . . 0.36 109.789 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.584 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 21.1 mm -94.38 137.96 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.35 -0.841 . . . . 0.36 111.104 -177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -103.72 -42.9 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.7 110.873 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HB3' HG13 ' A' ' 63' ' ' ILE . 7.4 mmtt -135.17 176.01 9.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.584 0.707 . . . . 1.56 111.277 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.77 141.33 27.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.899 -1.046 . . . . 1.37 108.559 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 37.2 mt-30 -135.48 149.32 49.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.666 0.27 . . . . 2.28 110.357 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -139.48 147.54 41.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.557 -0.535 . . . . 0.43 109.557 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 112.022 0.378 . . . . 0.55 112.022 -176.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.303 0.573 . . . . 2.29 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -96.51 122.67 39.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.28 -0.873 . . . . 1.13 109.84 -174.794 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.7 tpp -149.37 138.41 21.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.736 0.303 . . . . 0.63 111.33 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 101' ' ' LYS . 1.1 mm? -121.0 145.3 47.9 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.954 -0.566 . . . . 0.48 109.598 167.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.4 mtt180 -117.35 140.75 49.17 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.615 -0.72 . . . . 2.37 111.403 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -105.61 104.14 13.79 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.446 -1.252 . . . . 0.7 108.286 170.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 13.1 mm -87.26 99.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.112 -0.699 . . . . 0.41 109.112 -178.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.39 161.59 53.44 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.92 -0.872 . . . . 0.37 110.92 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 81.9 mttt . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 121.727 0.775 . . . . 1.16 110.083 179.065 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.382 -0.599 . . . . 2.01 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -118.17 148.28 42.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.772 0.796 . . . . 2.24 112.534 -171.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.2 m-70 -105.21 148.54 26.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.612 -1.176 . . . . 0.6 107.968 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.7 ttm -133.55 130.41 38.4 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.521 -0.471 . . . . 0.73 110.746 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -126.8 136.14 51.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.94 110.604 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.547 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 46.9 m -103.18 126.7 50.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.788 -0.642 . . . . 1.3 111.884 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.5 m-85 -112.91 179.16 4.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.701 -0.481 . . . . 0.32 109.701 173.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 11.6 p30 -135.7 26.89 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.648 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.45 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -143.48 125.18 14.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.082 -0.71 . . . . 1.62 109.082 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 97' ' ' MET . 7.7 tpt180 -73.75 -30.59 62.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 3.68 111.009 -173.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.45 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 22.7 m -64.52 -47.92 77.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.435 -0.348 . . . . 0.5 110.17 175.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -51.44 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.27 110.353 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 13.3 mtp -45.62 -57.4 4.22 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.165 0.431 . . . . 0.84 112.165 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 29.6 t70 -63.35 -40.72 98.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.67 111.561 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -66.5 -54.58 22.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.493 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.804 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -58.18 -41.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.22 110.152 175.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 14.9 mtmt -49.01 -64.84 0.69 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.523 0.677 . . . . 0.92 110.581 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.3 ttp -56.88 -49.24 76.12 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.358 -1.292 . . . . 1.41 111.765 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 107' ' ' ILE . 68.0 m -50.66 -47.22 58.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.27 111.251 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.6 mp -79.7 -49.95 11.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.825 -0.625 . . . . 1.03 109.494 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tm0? -55.21 -44.16 75.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.531 -1.213 . . . . 1.72 111.901 -177.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.73 -44.56 89.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.379 0.133 . . . . 2.21 111.007 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 25' ' ' ALA . 78.2 mt -61.94 -41.79 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.065 0.46 . . . . 0.39 110.217 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.15 -45.42 98.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.912 -0.586 . . . . 0.4 110.33 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -61.04 -37.29 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 1.32 110.529 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.65 -34.95 75.05 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.186 0.595 . . . . 2.87 111.345 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 2.75 110.673 177.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.6 m80 . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 111.806 0.299 . . . . 0.61 111.806 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.61 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 52.7 p -152.48 167.26 29.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.794 0.807 . . . . 0.28 112.727 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.94 148.94 5.79 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 114.052 -1.431 . . . . 0.15 110.311 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.89 115.94 7.2 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.274 0.559 . . . . 0.19 111.646 -173.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.52 177.51 5.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.86 -1.064 . . . . 0.16 109.901 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.17 138.23 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 110.32 -0.252 . . . . 0.36 110.32 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 48.2 t80 -147.35 132.86 18.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.688 -0.856 . . . . 0.39 108.688 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.9 mt-10 65.19 32.28 10.2 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.168 0.509 . . . . 1.33 110.694 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.7 mmtm 65.09 4.05 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.885 -1.052 . . . . 2.23 113.463 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -104.84 148.41 9.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.876 -0.787 . . . . 0.26 108.876 171.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 16.2 t -95.74 154.11 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.393 0.616 . . . . 1.29 111.676 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.66 -150.47 7.35 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 114.755 -1.111 . . . . 0.17 111.435 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.636 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.58 144.88 29.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 0.18 109.863 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.13 129.38 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 106.975 -1.491 . . . . 0.17 106.975 171.535 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.41 111.64 7.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.833 0.349 . . . . 0.15 111.86 -169.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -90.11 127.54 42.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.167 0.508 . . . . 0.23 110.521 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -114.71 119.94 38.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.363 -0.835 . . . . 1.36 110.551 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 9.4 mt-10 -122.38 72.83 1.08 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.468 -0.938 . . . . 1.47 108.468 168.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.04 -20.56 11.46 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.104 1.43 . . . . 3.67 108.185 164.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 23' ' ' SER . 26.5 m -107.47 -170.23 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 112.116 -2.311 . . . . 0.9 111.601 -161.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 9.1 p -73.56 168.84 21.71 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 105.853 -1.906 . . . . 1.23 105.853 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 49.9 Cg_exo -34.87 126.33 0.22 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.363 2.042 . . . . 0.56 113.597 -144.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.78 131.05 1.38 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 113.527 -1.67 . . . . 0.27 112.543 -166.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -117.72 148.89 41.59 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.231 0.539 . . . . 0.69 110.49 -176.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -103.11 129.85 50.09 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.381 -0.827 . . . . 0.59 108.914 179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -118.52 108.02 14.48 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.187 -0.46 . . . . 0.22 111.048 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -91.76 121.39 33.35 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.689 -0.856 . . . . 0.22 108.689 171.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.843 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -125.04 128.96 49.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.979 -0.555 . . . . 1.93 110.284 177.614 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.1 p -60.71 156.76 16.13 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 0.27 110.279 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' HA2' ' A' ' 14' ' ' GLY . 27.6 p -59.31 -20.71 56.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.841 -0.618 . . . . 0.97 112.175 -173.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.33 -28.45 29.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.483 . . . . 2.57 110.713 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.02 -1.43 57.74 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.835 -0.62 . . . . 1.07 112.092 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.52 -47.07 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.788 0.328 . . . . 2.64 111.582 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 9.0 mttp -91.54 130.54 37.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.311 -0.404 . . . . 1.2 111.399 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.4 t -138.87 125.3 24.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.95 -0.759 . . . . 0.83 108.95 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -129.5 117.38 20.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.042 -0.725 . . . . 0.33 109.042 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 26' ' ' GLU . 1.1 m -109.67 124.49 51.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.709 0.766 . . . . 0.32 112.037 -171.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 t -109.55 103.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.611 -1.177 . . . . 0.23 110.738 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -70.86 116.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.708 . . . . 0.63 109.405 175.836 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.45 -17.52 63.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.82 -1.082 . . . . 1.24 113.063 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 29.3 t -66.29 -15.1 62.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.771 0.319 . . . . 1.08 110.84 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 p -102.87 4.6 37.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.579 -0.282 . . . . 0.36 110.843 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.4 mm -100.59 130.59 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.03 0.443 . . . . 0.36 110.879 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -91.35 -47.18 7.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.7 110.916 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 63' ' ' ILE . 40.3 tptt -133.62 169.97 16.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.425 0.631 . . . . 1.56 110.138 -175.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -146.0 137.52 24.87 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.224 -0.898 . . . . 1.37 108.86 176.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -144.15 138.11 27.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.033 0.444 . . . . 2.28 111.522 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.587 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -112.01 166.54 11.14 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.598 -0.728 . . . . 0.43 109.308 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.55 111.108 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.072 0.463 . . . . 2.29 111.679 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.676 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.4 mpp? -77.12 116.1 17.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 1.13 111.191 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 tpp -153.32 137.06 16.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.96 -0.563 . . . . 0.63 111.899 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -119.94 147.79 44.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.474 -0.565 . . . . 0.48 109.474 170.034 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -116.94 141.89 47.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.879 -0.601 . . . . 2.37 111.584 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -108.66 103.69 12.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.731 -1.122 . . . . 0.7 108.707 171.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.583 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.0 mm -87.84 99.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.284 -0.635 . . . . 0.41 109.284 -176.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.52 148.91 46.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.534 -0.841 . . . . 0.37 112.744 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mttt . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 121.668 0.747 . . . . 1.16 112.09 -177.922 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 109.614 -0.513 . . . . 2.01 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -106.32 147.93 28.61 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.572 0.701 . . . . 2.24 112.012 -173.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 66.6 m-70 -102.83 153.86 19.76 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.566 -1.272 . . . . 0.6 107.566 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.3 ttm -135.88 128.83 31.32 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.12 -0.632 . . . . 0.73 110.977 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.87 137.74 53.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.94 110.307 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.4 t -106.99 134.38 50.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.715 0.293 . . . . 1.3 111.142 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.3 m-85 -113.29 179.8 3.86 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.321 -0.622 . . . . 0.32 109.321 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.52 20.07 7.98 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.523 . . . . 1.17 110.407 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.531 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 23.9 t-20 -147.24 129.9 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 1.62 110.379 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 18.6 mmm180 -68.26 -36.96 80.24 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 3.68 111.165 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.531 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 44.7 m -64.85 -46.89 79.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 0.5 110.809 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.72 -51.53 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 115.996 -0.547 . . . . 0.27 110.382 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.4 mtp -46.46 -64.28 0.8 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.37 0.419 . . . . 0.84 111.837 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.7 t70 -53.43 -38.89 63.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.513 0.508 . . . . 0.67 111.735 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.33 -61.11 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.092 0.245 . . . . 1.55 110.849 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.9 mm -54.33 -48.02 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.22 109.809 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' HD21 ' A' ' 60' ' ' LEU . 4.0 ttpp -47.65 -55.65 8.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.697 -0.683 . . . . 0.92 110.666 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.59 -51.46 62.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.883 -0.599 . . . . 1.41 111.324 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 107' ' ' ILE . 28.3 m -46.37 -54.46 9.0 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.893 0.745 . . . . 0.27 110.98 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -68.9 -51.14 43.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.057 -0.974 . . . . 1.03 109.667 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 11.9 tm0? -50.77 -46.96 59.71 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.123 -0.944 . . . . 1.72 111.787 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 54.6 mt-30 -67.95 -43.86 78.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.127 -0.488 . . . . 2.21 111.291 -177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 103' ' ' THR . 59.1 mt -64.47 -38.89 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.826 0.346 . . . . 0.39 110.279 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.0 mt -57.44 -45.32 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.4 110.109 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -63.72 -32.9 74.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.496 -0.775 . . . . 1.32 110.743 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 96.6 mtt180 -63.1 -34.46 77.64 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.66 -0.246 . . . . 2.87 110.847 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.302 0.572 . . . . 2.75 110.501 179.654 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--O 1.223 -0.318 0 N-CA-C 111.479 0.178 . . . . 0.61 111.479 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 13.0 p -153.89 159.28 41.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.557 0.694 . . . . 0.28 112.341 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.25 152.51 9.38 Favored Glycine 0 CA--C 1.498 -1.024 0 CA-C-N 114.39 -1.277 . . . . 0.15 110.419 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.56 117.75 9.19 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.532 0.682 . . . . 0.19 111.7 -173.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.692 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.15 172.26 9.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.861 -1.063 . . . . 0.16 109.466 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -131.43 134.38 60.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 116.315 -0.402 . . . . 0.36 109.918 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 46.0 t80 -147.92 130.52 15.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.22 -0.659 . . . . 0.39 109.22 -175.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 49.9 mt-10 63.23 37.65 11.04 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.601 0.715 . . . . 1.33 110.917 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.17 4.4 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.663 -1.153 . . . . 2.23 113.443 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.519 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -108.33 148.78 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.679 -0.86 . . . . 0.26 108.679 171.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 8.2 m -97.06 154.81 17.1 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.547 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.98 -149.81 7.03 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.17 111.849 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.63 145.73 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.459 . . . . 0.18 109.762 174.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -99.9 132.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 107.073 -1.454 . . . . 0.17 107.073 171.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.36 110.8 6.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.931 0.395 . . . . 0.15 111.918 -170.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.6 mp -92.63 123.98 44.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.145 0.498 . . . . 0.23 110.069 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -115.02 128.09 56.06 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.423 -0.808 . . . . 1.36 111.463 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -120.62 71.99 0.94 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.076 -1.083 . . . . 1.47 108.076 166.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.08 -24.77 10.13 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 123.188 1.471 . . . . 3.67 108.1 165.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 27.1 m -107.12 -170.43 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 CA-C-N 111.756 -2.475 . . . . 0.9 111.245 -162.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.5 m -73.04 169.34 18.12 Favored Pre-proline 0 C--N 1.313 -0.983 0 N-CA-C 105.616 -1.994 . . . . 1.23 105.616 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -34.19 125.49 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.659 2.239 . . . . 0.56 113.745 -146.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -36.78 130.1 0.78 Allowed 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.445 -1.707 . . . . 0.27 112.769 -166.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.7 mt-10 -116.48 150.02 38.57 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.24 -0.584 . . . . 0.69 109.824 -176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -102.35 128.72 48.8 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.656 -0.868 . . . . 0.59 108.656 179.345 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.5 m -122.19 107.88 12.66 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 116.119 -0.491 . . . . 0.22 111.088 -170.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 86.3 t90 -90.42 119.98 31.15 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.089 -0.708 . . . . 0.22 109.089 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.847 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -121.46 124.84 45.43 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.75 -0.659 . . . . 1.93 110.25 177.163 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.429 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 95.2 p -58.3 150.4 22.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.247 -0.888 . . . . 0.27 109.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' HA2' ' A' ' 14' ' ' GLY . 23.7 p -49.75 -37.36 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.963 0.357 . . . . 0.97 111.963 -173.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -29.19 69.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.22 -0.446 . . . . 2.57 111.661 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.12 3.28 57.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.094 -0.574 . . . . 1.07 111.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.27 -62.62 1.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.12 0.486 . . . . 2.64 110.692 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 4.3 mttp -79.43 120.63 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.2 111.326 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.8 t -131.01 120.41 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.922 -0.769 . . . . 0.83 108.922 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' THR . 10.6 m80 -121.16 122.55 40.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.388 -0.597 . . . . 0.33 109.388 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.3 129.04 56.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.24 0.543 . . . . 0.32 111.59 -172.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.6 t -118.49 101.61 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.202 -0.908 . . . . 0.23 110.353 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -69.74 115.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.596 0.712 . . . . 0.63 109.384 176.157 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 mt -64.4 -15.71 61.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.903 -1.044 . . . . 1.24 112.971 -169.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.553 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 21.6 t -68.23 -17.44 64.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.672 0.272 . . . . 1.08 110.567 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -95.8 1.47 53.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.36 110.934 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.521 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 14.7 mm -102.21 140.59 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.36 111.043 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 22.9 t70 -104.19 -44.42 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.61 . . . . 0.7 111.239 -177.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 63' ' ' ILE . 46.8 tptt -133.07 167.02 21.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.202 0.525 . . . . 1.56 110.106 -175.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.98 130.98 23.13 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.544 -0.753 . . . . 1.37 109.694 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 16.1 mm-40 -124.95 155.38 39.69 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.611 -0.722 . . . . 2.28 110.265 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' MET . . . -149.02 163.75 36.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.244 -0.435 . . . . 0.43 110.155 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 120.845 0.355 . . . . 0.55 111.645 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.224 0.535 . . . . 2.29 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -116.66 119.16 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.844 -0.616 . . . . 1.13 110.685 -172.59 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ALA . 13.1 tpp -138.35 132.93 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.62 -0.263 . . . . 0.63 110.624 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -114.62 146.2 41.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.811 -0.44 . . . . 0.48 109.811 175.154 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.8 mtm180 -124.82 137.19 54.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.601 0.715 . . . . 2.37 111.586 171.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -102.96 102.79 12.86 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.086 -1.415 . . . . 0.7 108.709 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.1 mm -87.61 100.54 10.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 109.717 -0.475 . . . . 0.41 109.717 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -66.97 151.39 52.45 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.545 -0.836 . . . . 0.37 112.802 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 66.2 mttt . . . . . 0 CA--C 1.504 -0.817 0 CA-C-O 122.32 1.057 . . . . 1.16 112.103 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 109.053 -0.721 . . . . 2.01 109.053 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.7 ptt180 -111.56 159.7 17.89 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.261 0.553 . . . . 2.24 111.86 -172.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 48.3 m-70 -116.53 146.59 42.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.3 -1.0 . . . . 0.6 108.3 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.5 ttm -127.94 129.89 47.55 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.051 -0.66 . . . . 0.73 111.257 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -125.47 136.96 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.052 0.453 . . . . 0.94 110.124 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.531 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 19.3 m -97.5 151.69 19.76 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.445 -0.798 . . . . 1.3 109.498 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.9 m-85 -128.45 178.53 6.22 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.042 -0.725 . . . . 0.32 109.042 168.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -134.35 30.72 3.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.78 -0.646 . . . . 1.17 110.155 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.437 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.6 t-20 -149.17 121.46 8.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.593 -0.892 . . . . 1.62 108.593 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.6 ttp180 -72.71 -26.71 61.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 3.68 111.177 -171.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.437 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 21.7 m -67.5 -47.01 71.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.315 -0.402 . . . . 0.5 110.388 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.9 t -49.98 -58.3 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 115.838 -0.619 . . . . 0.27 111.623 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.638 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 ptm -53.88 -48.08 70.42 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 120.803 -0.359 . . . . 0.84 111.805 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 97' ' ' MET . 18.2 t70 -60.8 -43.35 98.24 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 123.744 0.653 . . . . 0.67 111.672 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -63.89 -51.32 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.457 -0.338 . . . . 1.55 110.753 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.4 mm -58.1 -46.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.769 -0.65 . . . . 0.22 109.593 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 25.3 mtpt -42.51 -64.97 0.52 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.419 0.628 . . . . 0.92 111.707 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.2 ttp -57.91 -48.3 80.27 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.551 -1.204 . . . . 1.41 111.909 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 m -55.41 -48.05 74.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.486 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -71.56 -49.46 40.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.329 0.585 . . . . 1.03 109.524 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.25 -51.41 54.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.53 -1.214 . . . . 1.72 111.782 -177.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -67.23 -43.16 82.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.875 0.324 . . . . 2.21 111.875 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 103' ' ' THR . 64.7 mt -62.26 -41.07 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.007 -0.368 . . . . 0.39 110.007 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.95 -51.86 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.4 110.562 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -64.42 -23.35 67.25 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.706 -0.679 . . . . 1.32 111.451 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.8 -31.04 56.7 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 120.992 0.425 . . . . 2.87 110.115 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 2.75 109.954 174.185 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.2 m80 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.626 0.25 . . . . 0.61 111.384 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 15.9 p -147.41 167.12 25.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.387 0.613 . . . . 0.28 111.313 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.2 149.53 6.57 Favored Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 114.562 -1.199 . . . . 0.15 110.266 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.8 120.28 13.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.416 0.627 . . . . 0.19 111.119 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.3 172.78 10.31 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.157 -0.929 . . . . 0.16 109.693 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.06 133.68 62.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 109.95 -0.389 . . . . 0.36 109.95 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 49.4 t80 -149.9 136.89 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.899 -0.778 . . . . 0.39 108.899 -175.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.614 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 44.6 mt-10 62.21 34.3 16.17 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.319 0.581 . . . . 1.33 111.184 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.2 11.87 5.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.663 -1.153 . . . . 2.23 112.554 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HH2' ' A' ' 29' ' ' TRP . 1.8 p -116.81 149.0 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.778 -0.823 . . . . 0.26 108.778 172.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.9 m -91.57 154.1 19.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.155 0.502 . . . . 1.29 111.717 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.531 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -169.71 -154.51 9.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.501 -0.772 . . . . 0.17 111.898 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -121.97 145.75 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.454 -0.572 . . . . 0.18 109.454 172.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.44 132.65 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 107.256 -1.387 . . . . 0.17 107.256 170.584 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.3 106.64 5.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.323 0.49 . . . . 0.15 112.323 -170.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 mp -86.44 119.21 34.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.651 -0.499 . . . . 0.23 109.651 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -108.09 124.27 49.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.624 -0.716 . . . . 1.36 111.27 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.24 71.66 0.87 Allowed 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.861 -1.163 . . . . 1.47 107.861 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -112.91 -24.1 9.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 122.866 1.317 . . . . 3.67 108.419 165.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.24 -170.42 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 112.394 -2.185 . . . . 0.9 111.65 -162.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.461 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 61.6 m -74.33 170.91 12.78 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 105.939 -1.874 . . . . 1.23 105.939 172.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 52.3 Cg_exo -33.69 125.81 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.524 2.15 . . . . 0.56 113.691 -143.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.67 131.78 1.73 Allowed 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 113.865 -1.516 . . . . 0.27 112.216 -167.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.89 147.48 42.16 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.327 -176.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -102.32 128.69 48.78 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.606 -0.887 . . . . 0.59 108.606 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.1 m -120.38 107.35 12.81 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.279 -0.419 . . . . 0.22 110.88 -173.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 84.0 t90 -89.17 122.55 32.57 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.179 -1.045 . . . . 0.22 108.179 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.896 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -133.23 127.72 34.33 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.51 0.671 . . . . 1.93 111.09 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.46 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.5 p -60.42 142.74 54.62 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.113 -1.403 . . . . 0.27 109.81 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' HA2' ' A' ' 14' ' ' GLY . 13.5 p -56.34 -23.21 35.83 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.756 0.66 . . . . 0.97 111.954 -173.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.42 -27.34 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 2.57 111.116 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.63 -1.02 56.8 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.166 -0.54 . . . . 1.07 112.393 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.93 -62.91 1.43 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.742 0.306 . . . . 2.64 111.694 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 8.9 mttp -75.99 129.72 37.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.2 111.409 -178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -141.37 124.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.94 -0.763 . . . . 0.83 108.94 176.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m80 -128.35 122.64 31.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.8 -0.444 . . . . 0.33 109.8 -177.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.41 120.1 40.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.374 0.606 . . . . 0.32 112.152 -170.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -108.83 102.12 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.105 -0.952 . . . . 0.23 110.491 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.19 117.15 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.323 0.583 . . . . 0.63 109.461 175.835 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 2.7 mm? -51.25 -27.59 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.009 -0.996 . . . . 1.24 113.636 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 13.9 t -61.38 -16.59 47.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 1.08 111.494 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -102.19 3.48 38.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.36 110.639 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 22.4 mm -98.91 140.24 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.36 110.647 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -99.23 -44.23 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.943 -0.571 . . . . 0.7 110.478 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 47.8 tptt -144.56 175.14 10.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 1.56 109.774 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.657 HD21 ' HG2' ' A' ' 105' ' ' GLN . 2.4 pt? -140.86 153.66 45.83 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.582 -0.895 . . . . 1.37 108.582 168.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.57 140.04 40.77 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.908 -0.404 . . . . 2.28 109.908 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.17 150.93 49.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.211 -0.449 . . . . 0.43 110.631 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.55 112.119 -176.91 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.473 0.654 . . . . 2.29 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.587 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 23.5 mtm -107.74 115.09 29.52 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.831 -1.077 . . . . 1.13 111.217 -167.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.477 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.9 tpp -143.06 139.83 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.63 111.778 -172.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD11 ' HG3' ' A' ' 101' ' ' LYS . 1.0 OUTLIER -121.01 145.74 47.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.704 -0.48 . . . . 0.48 109.704 168.769 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -112.89 151.35 30.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.827 -0.624 . . . . 2.37 110.564 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -114.42 105.68 13.41 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.732 -1.21 . . . . 0.7 107.732 174.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.4 mm -88.31 97.79 7.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.444 -0.947 . . . . 0.41 108.444 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -76.73 151.17 39.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.427 -0.892 . . . . 0.37 112.643 -173.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.7 mttt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.814 0.816 . . . . 1.16 112.017 -177.844 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.113 0.483 . . . . 2.01 109.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.548 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.4 mtt180 -102.85 142.85 33.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.726 0.774 . . . . 2.24 112.941 -173.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 29.4 m-70 -116.7 140.25 49.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.293 -1.373 . . . . 0.6 107.293 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.0 ttm -128.07 131.25 49.1 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.147 -0.621 . . . . 0.73 110.78 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CE1' HD23 ' A' ' 62' ' ' LEU . 16.6 m-85 -128.99 137.42 51.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.94 110.499 -177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.63 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 36.8 m -100.07 131.74 45.85 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.842 -0.617 . . . . 1.3 111.337 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 88.1 m-85 -113.38 176.98 4.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.132 0.492 . . . . 0.32 110.63 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -137.43 14.89 2.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.263 -0.88 . . . . 1.17 111.336 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.22 142.15 39.96 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.113 0.482 . . . . 1.62 110.389 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.587 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 28.7 mmt-85 -70.7 -42.82 70.16 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.339 -0.846 . . . . 3.68 111.372 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 m -64.97 -47.22 78.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.951 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.5 t -46.35 -51.39 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.576 0.548 . . . . 0.27 111.266 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 3.9 mtp -44.52 -60.09 2.13 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 112.303 0.483 . . . . 0.84 112.303 174.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 18.6 t70 -69.87 -34.03 73.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.297 -173.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -69.35 -52.48 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.078 -0.342 . . . . 1.55 110.078 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -59.32 -40.51 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.22 109.841 175.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 60' ' ' LEU . 2.4 mtmt -50.66 -64.89 0.67 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.92 110.536 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.2 ttm -55.47 -50.3 70.23 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.617 -1.174 . . . . 1.41 111.744 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -49.23 -57.82 6.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.27 111.218 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.19 -55.91 26.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 1.03 111.116 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.657 ' HG2' HD21 ' A' ' 48' ' ' LEU . 16.4 tm0? -44.05 -54.53 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.846 -1.07 . . . . 1.72 112.621 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 91.7 mt-30 -63.9 -44.83 91.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.741 -0.209 . . . . 2.21 110.993 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 25' ' ' ALA . 75.9 mt -62.75 -44.64 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.848 0.356 . . . . 0.39 110.59 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.602 HD12 HD22 ' A' ' 48' ' ' LEU . 89.0 mt -54.75 -44.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.188 0.518 . . . . 0.4 110.461 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -69.76 -30.62 68.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.32 110.888 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.4 mtt180 -62.13 -33.2 74.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.207 0.527 . . . . 2.87 110.65 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CE2' HG22 ' A' ' 107' ' ' ILE . 25.1 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 2.75 110.25 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.343 0.497 . . . . 0.61 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.8 p -166.95 165.31 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.28 111.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.08 148.91 6.1 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 114.723 -1.126 . . . . 0.15 110.44 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.44 116.3 8.03 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.291 0.567 . . . . 0.19 111.614 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.93 164.01 21.71 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.264 -0.88 . . . . 0.16 109.778 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -124.13 139.33 50.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.633 -0.506 . . . . 0.36 109.633 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -143.53 117.81 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.67 0.271 . . . . 0.39 110.826 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 49.47 64.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.488 -0.778 . . . . 1.33 112.851 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.63 3.43 4.67 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.388 -1.278 . . . . 2.23 113.897 170.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.8 p -126.64 146.16 32.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.044 0.449 . . . . 0.26 110.019 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.673 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.5 m -96.74 158.92 15.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.655 -0.702 . . . . 1.29 111.246 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -177.18 -149.16 7.61 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.026 -0.607 . . . . 0.17 112.689 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.91 147.37 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 123.498 0.719 . . . . 0.18 109.124 174.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.73 131.67 47.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.157 -1.423 . . . . 0.17 107.157 169.261 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.45 121.96 16.2 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.731 0.301 . . . . 0.15 111.164 -172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 HD11 ' A' ' 104' ' ' LEU . 2.5 mp -98.65 125.74 51.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.048 0.928 . . . . 0.23 112.605 -173.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.529 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 14.4 m-20 -82.68 151.6 26.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.366 -1.743 . . . . 1.36 110.256 174.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' VAL . 27.6 mt-10 -121.24 -135.23 0.31 Allowed 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 126.402 1.881 . . . . 1.47 108.111 -169.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -47.45 24.14 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 128.781 2.832 . . . . 3.67 115.889 -169.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' GLU . 29.6 m -96.33 -167.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 N-CA-C 106.32 -1.733 . . . . 0.9 106.32 172.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -69.53 144.86 94.72 Favored Pre-proline 0 C--N 1.312 -1.057 0 N-CA-C 105.225 -2.139 . . . . 1.23 105.225 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 80.8 Cg_exo -34.04 126.76 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.182 2.588 . . . . 0.56 114.167 -143.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.711 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -29.27 121.34 0.14 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.192 -1.822 . . . . 0.27 112.339 -166.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -114.58 138.03 51.15 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.067 -0.515 . . . . 0.69 110.322 -170.161 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD13 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -101.35 125.57 48.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.618 0.723 . . . . 0.59 109.265 -178.323 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 5.9 m -114.79 107.53 15.56 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.372 -0.831 . . . . 0.22 110.637 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 69.8 t90 -87.93 123.96 33.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.214 -1.402 . . . . 0.22 107.214 167.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.719 ' CB ' HG22 ' A' ' 37' ' ' VAL . 10.5 ptt180 -133.25 138.27 46.4 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 121.454 0.645 . . . . 1.93 110.167 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 97.0 p -68.58 156.92 37.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.633 -1.167 . . . . 0.27 110.781 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.462 HG23 ' HA2' ' A' ' 14' ' ' GLY . 12.7 p -58.58 -23.23 58.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.375 -0.83 . . . . 0.97 113.062 -170.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.08 -20.14 35.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.036 0.446 . . . . 2.57 111.003 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.66 7.02 69.45 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.768 -0.651 . . . . 1.07 111.507 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.72 -64.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 2.64 110.895 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 tttt -78.57 130.22 35.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 116.012 -0.54 . . . . 1.2 110.199 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 ' CB ' ' A' ' 30' ' ' ARG . 4.0 t -147.13 129.15 6.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.622 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.594 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m-70 -131.24 129.18 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.437 -0.579 . . . . 0.33 109.437 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.78 117.17 29.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.61 . . . . 0.32 111.559 -172.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 57.2 t -103.39 101.11 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 0.23 111.051 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -69.13 115.75 8.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.041 -0.725 . . . . 0.63 109.041 174.432 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 45' ' ' ILE . 45.0 mt -65.05 -14.64 60.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.349 0.87 . . . . 1.24 113.349 -168.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 17.2 t -66.52 -14.79 62.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 1.08 110.712 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -100.04 5.78 45.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.36 111.056 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 25.8 mm -101.84 147.56 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 116.174 -0.466 . . . . 0.36 111.457 -178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 38.5 t70 -114.97 -40.58 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.7 111.876 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.5 tmtt? -135.26 174.48 10.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.298 0.571 . . . . 1.56 110.338 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -144.18 140.41 29.31 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.631 -0.878 . . . . 1.37 108.631 174.726 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 99.2 mt-30 -128.26 142.75 51.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.42 -0.355 . . . . 2.28 110.354 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -144.32 145.59 32.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.814 -0.63 . . . . 0.43 109.518 -176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.11 0.481 . . . . 0.55 111.941 -175.24 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 121.369 0.604 . . . . 2.29 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.1 mpt? -102.03 113.43 26.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.403 -0.817 . . . . 1.13 110.833 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -143.85 139.06 29.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 0.63 110.971 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.67 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -123.72 152.2 42.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.809 -0.632 . . . . 0.48 109.539 171.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 86.2 mtt180 -128.48 145.94 50.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.206 0.527 . . . . 2.37 111.323 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.8 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -108.05 106.18 16.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.01 -0.996 . . . . 0.7 108.835 171.421 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 11.0 mm -88.88 100.22 10.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.87 -0.332 . . . . 0.41 110.211 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.74 152.64 50.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.769 -0.729 . . . . 0.37 112.457 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 56.7 mttt . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 121.726 0.774 . . . . 1.16 112.259 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 108.638 -0.875 . . . . 2.01 108.638 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -124.55 155.1 39.59 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.281 0.563 . . . . 2.24 111.891 -172.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 57.9 m80 -109.85 141.98 41.79 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.445 -0.946 . . . . 0.6 108.445 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.0 ttm -126.55 124.78 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.585 0.629 . . . . 0.73 111.676 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.8 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.2 m-85 -115.56 142.24 46.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.736 -0.666 . . . . 0.94 111.397 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.534 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 49.3 m -111.51 121.98 46.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.751 -0.659 . . . . 1.3 111.17 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 74.4 m-85 -111.95 178.45 4.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.975 -0.75 . . . . 0.32 108.975 173.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.0 p30 -136.0 28.01 3.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.301 0.572 . . . . 1.17 110.249 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.508 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 21.3 t-20 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.82 -0.808 . . . . 1.62 108.82 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.6 -27.48 55.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 3.68 110.47 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.508 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 80.9 m -66.38 -49.71 65.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.5 110.181 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 91' ' ' PHE . 41.8 t -49.63 -51.56 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 115.746 -0.661 . . . . 0.27 110.31 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.659 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 7.1 mtp -44.6 -64.62 0.66 Allowed 'General case' 0 C--O 1.218 -0.555 0 O-C-N 123.648 0.592 . . . . 0.84 112.192 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.13 -36.14 72.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.673 0.273 . . . . 0.67 111.44 -173.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -70.6 -54.95 10.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 1.55 110.849 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -57.27 -46.22 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 0.22 109.81 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.67 ' HG2' HD11 ' A' ' 60' ' ' LEU . 45.0 mtpt -46.31 -64.39 0.77 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.92 110.67 175.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtm -59.15 -47.98 83.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.644 -1.162 . . . . 1.41 112.067 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 107' ' ' ILE . 99.8 m -51.02 -51.56 51.87 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.343 0.592 . . . . 0.27 111.096 -177.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.9 mp -72.73 -50.68 23.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.218 -0.901 . . . . 1.03 109.095 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.0 tm0? -50.63 -51.94 44.19 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.549 -1.205 . . . . 1.72 111.805 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 19.9 mm-40 -66.29 -42.77 87.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.289 -0.414 . . . . 2.21 112.082 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 25' ' ' ALA . 66.2 mt -65.15 -41.36 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.321 -0.552 . . . . 0.39 110.1 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mt -53.0 -51.02 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 0.4 110.204 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -66.77 -25.32 66.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.315 -0.857 . . . . 1.32 111.795 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.1 mtt180 -67.02 -31.29 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 2.87 110.247 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.396 0.617 . . . . 2.75 110.0 178.007 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m80 . . . . . 0 C--O 1.223 -0.297 0 CA-C-O 120.605 0.24 . . . . 0.61 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 20.4 p -142.6 166.7 23.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.413 0.625 . . . . 0.28 112.384 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.28 148.53 6.4 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.595 -1.184 . . . . 0.15 110.535 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.656 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.67 119.3 11.54 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.377 0.608 . . . . 0.19 112.048 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -128.31 174.27 9.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.959 -1.019 . . . . 0.16 109.96 -177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.653 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.49 137.26 55.74 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 116.392 -0.367 . . . . 0.36 110.086 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.4 t80 -148.42 129.16 14.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.088 -0.708 . . . . 0.39 109.088 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.5 mt-10 66.32 36.53 5.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.209 0.528 . . . . 1.33 111.01 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt 65.88 -2.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.903 -1.044 . . . . 2.23 113.094 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -101.35 148.46 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.84 -0.8 . . . . 0.26 108.84 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.653 ' HA ' HG13 ' A' ' 8' ' ' ILE . 6.9 m -100.52 153.78 19.09 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.793 -0.64 . . . . 1.29 111.71 -173.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.01 -148.78 6.67 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.909 -0.587 . . . . 0.17 112.376 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.7 146.2 27.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.849 -0.426 . . . . 0.18 109.849 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.25 133.38 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 107.267 -1.383 . . . . 0.17 107.267 171.073 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.32 106.54 5.24 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.325 0.491 . . . . 0.15 112.325 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.9 mp -86.57 122.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.799 -0.445 . . . . 0.23 109.799 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -112.54 120.79 42.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.833 -0.622 . . . . 1.36 111.288 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.68 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 29.4 mt-10 -117.29 72.6 0.84 Allowed 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 107.758 -1.201 . . . . 1.47 107.758 167.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.09 -24.27 9.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 122.956 1.36 . . . . 3.67 108.367 165.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.71 -168.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 112.039 -2.346 . . . . 0.9 111.953 -161.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.529 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 12.2 p -73.31 169.91 16.13 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 105.9 -1.889 . . . . 1.23 105.9 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 53.0 Cg_exo -34.44 126.01 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.583 2.189 . . . . 0.56 113.621 -145.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -38.4 131.42 1.21 Allowed 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 113.641 -1.618 . . . . 0.27 112.448 -167.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -117.1 145.61 43.66 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.436 -0.505 . . . . 0.69 110.002 -176.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.31 129.71 48.82 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.488 -0.93 . . . . 0.59 108.488 179.31 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.4 m -121.91 108.29 13.26 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 116.118 -0.492 . . . . 0.22 110.786 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 82.3 t90 -87.06 126.31 34.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.952 -1.129 . . . . 0.22 107.952 171.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.926 ' HB3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -137.48 127.62 26.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.569 0.699 . . . . 1.93 111.528 179.375 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.51 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.2 p -57.94 151.58 17.98 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.958 -1.474 . . . . 0.27 110.687 -175.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.8 p -57.18 -27.07 61.61 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.563 -0.744 . . . . 0.97 112.391 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.19 -29.15 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 2.57 110.83 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.82 5.12 58.73 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.025 -0.607 . . . . 1.07 112.23 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -82.93 -58.15 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.107 0.48 . . . . 2.64 111.561 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.69 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 9.4 tttt -88.29 119.57 28.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.599 . . . . 1.2 110.736 -175.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.926 HG12 ' HB3' ' A' ' 30' ' ' ARG . 24.4 m -128.41 145.41 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.004 -0.739 . . . . 0.83 109.004 174.035 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.69 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 18.3 m-70 -140.13 125.33 18.74 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.616 -0.883 . . . . 0.33 108.616 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 124.38 51.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.466 0.65 . . . . 0.32 112.403 -169.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 45' ' ' ILE . 29.6 t -113.09 102.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.83 -1.077 . . . . 0.23 110.396 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.5 118.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.479 -0.563 . . . . 0.63 109.479 175.396 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 1.9 mm? -53.02 -28.19 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.969 1.1 . . . . 1.24 113.969 -172.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 9.6 t -65.9 -11.38 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 1.08 111.032 -176.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -98.7 4.8 47.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.36 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 18.6 mm -100.26 137.25 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 121.406 0.622 . . . . 0.36 111.916 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 29.5 t70 -99.28 -46.14 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.157 -0.928 . . . . 0.7 110.767 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB3' HG13 ' A' ' 63' ' ' ILE . 48.2 tptt -137.28 171.18 14.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.155 0.502 . . . . 1.56 110.677 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -142.54 130.68 22.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.009 -0.737 . . . . 1.37 109.009 175.787 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.6 mm-40 -125.79 144.52 50.6 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.983 -0.553 . . . . 2.28 110.751 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -138.9 142.22 38.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.43 110.446 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.991 0.424 . . . . 0.55 111.779 -178.173 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 121.707 0.765 . . . . 2.29 110.77 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.719 ' HB2' ' SD ' ' A' ' 97' ' ' MET . 1.8 ptp -84.91 119.33 25.23 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.597 -1.183 . . . . 1.13 110.55 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 6.8 tpp -133.59 148.44 51.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.022 -0.99 . . . . 0.63 110.927 -167.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -123.09 146.14 47.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.022 0.439 . . . . 0.48 110.241 170.347 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 93.7 mtt180 -119.55 143.73 47.45 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.702 -0.681 . . . . 2.37 111.09 172.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -109.55 103.06 11.87 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.69 -1.141 . . . . 0.7 107.998 174.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.3 mm -87.99 100.27 10.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.447 -0.575 . . . . 0.41 109.447 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -78.2 143.26 27.15 Favored Glycine 0 C--N 1.321 -0.265 0 C-N-CA 120.56 -0.828 . . . . 0.37 113.326 -173.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 15.8 mtpt . . . . . 0 CA--C 1.507 -0.688 0 CA-C-O 121.199 0.523 . . . . 1.16 109.856 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 107.363 -1.347 . . . . 2.01 107.363 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -120.02 161.65 20.57 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.072 0.767 . . . . 2.24 113.072 -169.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 26.8 m-70 -111.12 155.85 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.236 -1.024 . . . . 0.6 108.236 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttm -139.45 127.23 22.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.721 -0.392 . . . . 0.73 110.784 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.88 145.99 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.94 110.561 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.8 m -111.02 129.09 56.01 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.88 -0.6 . . . . 1.3 111.702 -174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m-85 -113.89 177.46 4.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.284 0.564 . . . . 0.32 110.386 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -134.62 22.61 3.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.236 -0.893 . . . . 1.17 110.348 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.402 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -145.64 127.92 15.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.939 -0.573 . . . . 1.62 110.064 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -62.67 -46.15 89.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.288 -0.869 . . . . 3.68 111.186 -175.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 29.2 m -57.05 -49.64 75.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.5 110.59 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -50.06 -58.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.27 111.661 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.719 ' SD ' ' HB2' ' A' ' 58' ' ' MET . 4.1 ptm -59.5 -42.44 92.17 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.84 111.668 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.661 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -65.89 -42.7 89.94 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.208 -0.905 . . . . 0.67 111.777 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.78 -48.56 58.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.724 -0.473 . . . . 1.55 109.724 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 mm -56.91 -37.42 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.22 110.164 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.617 ' CG ' HD11 ' A' ' 60' ' ' LEU . 4.0 mtmm -52.46 -65.08 0.62 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.394 0.616 . . . . 0.92 110.155 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.2 ttp -56.38 -45.68 80.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.307 -1.315 . . . . 1.41 111.9 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 107' ' ' ILE . 52.3 m -52.98 -52.38 58.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.219 178.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 53.8 mt -70.3 -51.92 26.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.467 0.651 . . . . 1.03 111.221 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -51.49 -46.61 63.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.272 -1.331 . . . . 1.72 111.742 -176.399 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -62.13 -50.58 71.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.313 0.101 . . . . 2.21 111.075 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.1 mt -57.62 -42.48 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.102 -0.333 . . . . 0.39 110.102 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 67.6 mt -54.11 -55.94 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.4 110.835 172.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.1 m -60.7 -30.15 69.77 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.312 -0.858 . . . . 1.32 111.43 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.513 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 92.2 mtt180 -69.81 -24.98 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 2.87 111.123 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.7 m-85 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.155 0.503 . . . . 2.75 110.129 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.502 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.5 m80 . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 113.76 1.022 . . . . 0.61 113.76 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.602 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.8 p -148.11 163.46 36.87 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.568 0.699 . . . . 0.28 112.524 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.04 150.91 7.11 Favored Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 114.312 -1.313 . . . . 0.15 110.337 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.64 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.1 119.15 11.55 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.311 0.577 . . . . 0.19 111.673 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.51 172.88 10.31 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.176 -0.92 . . . . 0.16 110.107 -177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -130.33 138.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 110.293 -0.262 . . . . 0.36 110.293 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.647 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 46.2 t80 -150.55 132.96 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 0.39 109.032 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.3 mt-10 64.86 36.07 8.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.278 0.561 . . . . 1.33 111.058 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 62.82 8.3 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.835 -1.075 . . . . 2.23 113.158 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.509 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.7 p -111.87 148.44 15.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.505 -0.924 . . . . 0.26 108.505 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.637 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 m -95.21 157.08 16.05 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.311 0.577 . . . . 1.29 111.595 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.528 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -172.63 -150.88 7.59 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.521 -0.763 . . . . 0.17 111.788 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.4 145.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.651 -0.5 . . . . 0.18 109.651 173.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.51 128.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 107.075 -1.454 . . . . 0.17 107.075 170.006 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.38 110.03 6.68 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.951 0.405 . . . . 0.15 111.511 -171.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -91.97 126.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.225 0.536 . . . . 0.23 110.522 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.33 127.15 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.29 -0.868 . . . . 1.36 110.842 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -122.08 72.16 1.03 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.509 -1.293 . . . . 1.47 107.509 166.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.73 -22.13 10.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.044 1.402 . . . . 3.67 108.338 167.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 23' ' ' SER . 16.1 m -108.0 -169.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 112.05 -2.341 . . . . 0.9 111.572 -161.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -72.55 170.19 14.11 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 105.348 -2.093 . . . . 1.23 105.348 171.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HB2' HG23 ' A' ' 41' ' ' VAL . 72.3 Cg_exo -34.02 127.08 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.632 2.221 . . . . 0.56 113.736 -147.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.12 138.05 0.47 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 113.474 -1.694 . . . . 0.27 112.575 -167.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 2.8 mt-10 -122.71 148.48 45.26 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.251 0.548 . . . . 0.69 110.35 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 HD11 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -103.12 126.77 50.45 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.275 -0.875 . . . . 0.59 108.759 177.659 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.3 m -115.96 108.09 15.81 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.794 -0.362 . . . . 0.22 111.178 -172.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CH2' HG13 ' A' ' 12' ' ' VAL . 84.4 t90 -88.0 120.93 29.83 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.463 -0.94 . . . . 0.22 108.463 170.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.4 ptt180 -132.83 124.03 27.22 Favored 'General case' 0 N--CA 1.427 -1.586 0 C-N-CA 119.2 -1.0 . . . . 1.93 111.614 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.2 p -57.45 147.89 25.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.233 -1.803 . . . . 0.27 109.995 -174.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.528 HG23 ' HA2' ' A' ' 14' ' ' GLY . 21.8 p -55.53 -25.14 35.86 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.886 0.742 . . . . 0.97 112.349 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.61 -25.24 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 2.57 111.093 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.78 4.81 61.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.872 -0.68 . . . . 1.07 112.303 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.33 -56.84 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.339 . . . . 2.64 111.378 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 11.1 mttp -86.98 136.52 32.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.433 -0.349 . . . . 1.2 111.404 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 30' ' ' ARG . 7.9 t -146.3 117.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.497 -0.927 . . . . 0.83 108.497 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -122.17 118.93 29.83 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.356 -0.609 . . . . 0.33 109.356 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -109.23 128.5 55.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.644 0.735 . . . . 0.32 111.889 -171.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 31.9 t -116.7 101.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.861 -1.063 . . . . 0.23 110.683 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.28 114.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.312 -0.625 . . . . 0.63 109.312 175.503 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 42' ' ' LEU . 1.2 mm? -52.33 -23.28 5.58 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.88 1.437 . . . . 1.24 114.88 -172.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -69.18 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.308 0.504 . . . . 1.08 112.016 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.9 p -94.05 -2.22 53.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.505 0.669 . . . . 0.36 109.763 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 23.1 mm -100.18 146.16 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 CA-C-N 115.059 -0.973 . . . . 0.36 111.4 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -100.57 -45.97 5.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.21 -0.905 . . . . 0.7 110.397 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.8 tmtp? -144.98 174.49 10.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 1.56 110.392 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.64 155.23 43.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.819 -0.628 . . . . 1.37 109.69 167.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -148.07 168.45 22.35 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.576 -0.738 . . . . 2.28 110.071 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -144.8 166.97 23.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.164 -0.471 . . . . 0.43 110.06 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.599 0.237 . . . . 0.55 110.721 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.274 0.559 . . . . 2.29 110.372 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.505 ' HG2' ' HG3' ' A' ' 97' ' ' MET . 35.1 mtm -124.64 112.97 17.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.678 -0.692 . . . . 1.13 111.166 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HB3' HG23 ' A' ' 51' ' ' THR . 13.8 tpp -148.79 136.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.337 -0.847 . . . . 0.63 110.266 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.68 148.85 32.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.405 -0.591 . . . . 0.48 109.405 173.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -117.2 147.34 42.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.196 0.522 . . . . 2.37 110.697 174.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 2.3 mm? -113.69 104.02 11.81 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.757 -1.201 . . . . 0.7 107.757 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.603 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.7 mm -87.92 97.26 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 N-CA-C 108.386 -0.968 . . . . 0.41 108.386 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.58 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -75.76 163.8 53.66 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.813 -0.708 . . . . 0.37 111.737 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 N--CA 1.44 -0.942 0 CA-C-O 121.851 0.834 . . . . 1.16 110.825 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 . . . . . 0 C--O 1.22 -0.458 0 N-CA-C 109.648 -0.501 . . . . 2.01 109.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.7 mtm180 -104.31 139.51 39.19 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 113.415 0.894 . . . . 2.24 113.415 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 46.3 m-70 -116.41 145.85 42.95 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.106 -1.407 . . . . 0.6 107.343 171.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -131.34 129.31 41.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.248 -0.581 . . . . 0.73 110.919 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 40.5 m-85 -128.03 138.04 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.562 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.1 t -105.86 135.45 47.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.357 -0.238 . . . . 1.3 110.357 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 49.8 m-85 -112.92 177.26 4.69 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.417 -0.586 . . . . 0.32 109.417 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -133.49 33.72 3.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.644 -0.707 . . . . 1.17 110.027 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -156.82 134.11 10.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.533 -0.758 . . . . 1.62 110.195 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -70.84 -40.2 72.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.666 -0.697 . . . . 3.68 111.54 -173.61 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.1 m -65.04 -46.24 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.336 -0.393 . . . . 0.5 110.523 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 100' ' ' ILE . 45.3 t -48.42 -55.11 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.27 110.493 172.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 58' ' ' MET . 47.2 mmm -43.9 -57.19 3.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 123.546 0.529 . . . . 0.84 112.171 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.2 t70 -67.51 -40.98 85.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.524 . . . . 0.67 111.764 -174.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -69.57 -45.81 67.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.261 -0.427 . . . . 1.55 110.288 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -61.17 -44.77 98.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.286 -0.635 . . . . 0.22 109.286 173.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.614 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 40.8 mtmt -48.68 -59.24 3.7 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.92 110.439 173.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 mtm -58.48 -48.82 79.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 1.41 112.079 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 3' ' ' HIS . 94.2 m -55.12 -52.51 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.27 111.193 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.7 mp -67.43 -49.84 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.032 -0.729 . . . . 1.03 109.032 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 15.2 tm0? -52.47 -49.69 64.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.177 -0.92 . . . . 1.72 112.362 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.0 mt-30 -61.46 -49.5 76.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.631 0.253 . . . . 2.21 111.094 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 25' ' ' ALA . 82.9 mt -62.78 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 0.39 111.17 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 48' ' ' LEU . 72.4 mt -60.19 -45.26 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.4 110.31 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -58.43 -33.92 70.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 1.32 110.883 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.522 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.6 mtt180 -64.96 -36.89 85.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 2.87 111.163 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.776 0.798 . . . . 2.75 109.474 179.656 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.414 ' HA ' HG21 ' A' ' 103' ' ' THR . 77.8 m80 . . . . . 0 C--O 1.223 -0.315 0 N-CA-C 111.41 0.152 . . . . 0.61 111.41 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.9 p -159.63 165.32 32.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.395 0.617 . . . . 0.28 111.836 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.5 148.7 6.2 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 114.699 -1.137 . . . . 0.15 110.695 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.66 116.16 7.29 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.461 0.648 . . . . 0.19 111.445 -173.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.82 174.53 8.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.793 -1.094 . . . . 0.16 110.194 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -130.89 138.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 110.064 -0.347 . . . . 0.36 110.064 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.654 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.2 t80 -148.96 128.98 13.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.931 -0.766 . . . . 0.39 108.931 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 65.46 41.58 4.15 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.127 0.489 . . . . 1.33 110.994 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 66.73 -8.23 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.064 -0.971 . . . . 2.23 113.336 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -101.49 147.9 7.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.978 0.418 . . . . 0.26 109.879 177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.642 ' HA ' HG13 ' A' ' 8' ' ' ILE . 17.5 t -98.13 154.47 17.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.514 -0.766 . . . . 1.29 111.698 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.82 -145.85 5.49 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.748 -1.115 . . . . 0.17 111.621 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.2 145.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.807 -0.442 . . . . 0.18 109.807 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.21 131.35 47.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 107.093 -1.447 . . . . 0.17 107.093 169.449 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 121.71 15.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.572 0.225 . . . . 0.15 111.267 -171.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 104' ' ' LEU . 2.7 mp -97.11 124.66 50.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.999 0.904 . . . . 0.23 111.92 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.415 ' ND2' HG21 ' A' ' 22' ' ' VAL . 65.9 t30 -94.56 146.03 24.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.751 -1.568 . . . . 1.36 109.658 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 22' ' ' VAL . 36.8 mt-10 -119.8 -146.58 0.38 Allowed 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 105.966 -1.864 . . . . 1.47 105.966 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -37.53 29.82 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 131.248 3.819 . . . . 3.67 118.397 -143.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.6 m -94.99 -168.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 113.762 -1.563 . . . . 0.9 106.855 171.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.3 m -70.69 159.13 86.21 Favored Pre-proline 0 C--N 1.308 -1.206 0 N-CA-C 105.585 -2.006 . . . . 1.23 105.585 -177.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 69.6 Cg_exo -34.26 125.47 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.055 . . . . 0.56 113.928 -144.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -33.85 127.53 0.39 Allowed 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.497 1.748 . . . . 0.27 111.523 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -114.49 140.58 48.61 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.427 -0.509 . . . . 0.69 110.054 -170.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.32 129.31 48.72 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.94 -0.763 . . . . 0.59 108.94 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.7 m -119.79 107.74 13.55 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.027 -0.533 . . . . 0.22 111.058 -172.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.9 t90 -89.45 124.96 34.96 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.177 -1.046 . . . . 0.22 108.177 169.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 ptt180 -133.93 135.19 43.41 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.204 0.526 . . . . 1.93 110.484 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.5 p -65.16 161.65 18.7 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.835 -1.075 . . . . 0.27 110.714 -172.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -60.9 -18.66 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.615 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.12 -29.31 21.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.153 0.501 . . . . 2.57 110.68 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.04 60.42 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.886 -0.673 . . . . 1.07 112.562 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.85 -56.39 9.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 2.64 110.655 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 6.2 mttt -79.64 120.28 23.75 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.761 -0.654 . . . . 1.2 110.557 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.852 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 t -137.51 118.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.666 -0.864 . . . . 0.83 108.666 178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 9.4 m80 -121.84 123.39 41.66 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.383 -0.599 . . . . 0.33 109.383 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.8 117.58 32.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.674 0.749 . . . . 0.32 111.933 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.4 t -100.48 100.53 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.753 -1.112 . . . . 0.23 109.627 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.12 115.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.571 -1.27 . . . . 0.63 107.571 174.444 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 49.8 mt -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 114.364 1.246 . . . . 1.24 114.364 -160.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.536 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 26.9 m -63.37 5.7 0.16 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.377 0.99 . . . . 1.08 112.924 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -102.08 -1.33 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 0.36 110.121 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.2 mm -95.14 144.67 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.685 -0.689 . . . . 0.36 110.635 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.5 t70 -108.07 -41.36 4.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.727 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.569 ' HB3' HG13 ' A' ' 63' ' ' ILE . 3.9 mmtp -133.98 174.62 10.28 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.728 0.775 . . . . 1.56 111.682 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -146.44 134.48 21.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.813 -1.085 . . . . 1.37 108.567 176.174 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.7 mm-40 -131.73 147.94 52.54 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.239 -0.437 . . . . 2.28 110.24 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -135.36 153.95 51.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.441 -0.345 . . . . 0.43 110.11 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p . . . . . 0 C--O 1.236 0.389 0 CA-C-N 116.453 -0.339 . . . . 0.55 111.503 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 32.5 mtmm . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 2.29 110.272 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -129.93 115.56 17.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.694 -0.685 . . . . 1.13 111.026 -169.33 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -147.2 140.9 25.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.63 111.023 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD23 ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -116.43 149.27 39.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.3 -0.409 . . . . 0.48 110.112 171.583 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 98.1 mtt180 -120.67 133.53 55.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.953 -0.567 . . . . 2.37 111.222 173.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -97.54 102.16 13.86 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.824 -1.08 . . . . 0.7 109.21 169.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 47' ' ' LYS . 12.8 mm -87.02 100.7 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 118.445 0.566 . . . . 0.41 110.068 -174.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -60.18 169.8 7.49 Favored Glycine 0 N--CA 1.447 -0.619 0 O-C-N 123.565 0.54 . . . . 0.37 112.379 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 68.4 mttt . . . . . 0 C--N 1.314 -0.957 0 N-CA-C 114.45 1.278 . . . . 1.16 114.45 -170.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 CA--C 1.509 -0.619 0 N-CA-C 109.064 -0.717 . . . . 2.01 109.064 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.761 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.7 ptt180 -107.04 144.39 33.76 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 119.63 -0.828 . . . . 2.24 111.502 -173.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 85.2 m-70 -111.96 129.71 56.09 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.381 -1.281 . . . . 0.6 108.228 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.1 ttm -116.61 126.84 53.83 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.653 -0.419 . . . . 0.73 111.213 -173.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 14.5 m-85 -128.19 136.38 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.94 110.58 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 6.6 t -99.03 135.88 39.8 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.481 -0.327 . . . . 1.3 110.675 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.769 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.4 m-85 -112.71 178.06 4.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.11 0.481 . . . . 0.32 110.188 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -130.08 26.56 5.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.824 . . . . 1.17 110.312 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.566 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.2 t-20 -158.86 131.52 6.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.022 -0.535 . . . . 1.62 109.831 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' MET . 9.7 mpt_? -72.74 -33.74 66.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.129 -0.487 . . . . 3.68 110.956 -174.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.566 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 94.2 m -61.75 -50.55 71.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.5 109.966 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -48.63 -52.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.382 -0.826 . . . . 0.27 110.89 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 5.1 mtp -43.49 -57.78 2.93 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 112.485 0.55 . . . . 0.84 112.485 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.62 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.3 t70 -65.92 -38.86 89.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.246 -0.434 . . . . 0.67 111.239 -174.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -66.21 -52.42 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.723 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.3 mm -60.06 -41.17 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.22 109.571 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 17.9 mtmt -49.85 -64.46 0.8 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.422 0.63 . . . . 0.92 110.608 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.5 ttm -58.73 -51.01 71.78 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.654 -1.157 . . . . 1.41 111.938 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 3' ' ' HIS . 68.0 m -48.58 -50.31 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.514 0.508 . . . . 0.27 111.615 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.7 mp -73.95 -50.54 19.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.548 0.69 . . . . 1.03 109.368 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.668 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -57.74 -42.7 84.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.414 -1.266 . . . . 1.72 112.076 -176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.91 -46.0 86.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.309 0.1 . . . . 2.21 111.177 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' A' ' 25' ' ' ALA . 91.4 mt -57.23 -45.55 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 0.39 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.838 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 65.0 mt -56.25 -55.15 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 115.492 -0.776 . . . . 0.4 110.779 175.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -59.45 -23.73 62.95 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.716 -0.675 . . . . 1.32 111.061 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -75.66 -35.79 60.31 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 116.106 -0.497 . . . . 2.87 110.794 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.838 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 . . . . . 0 N--CA 1.463 0.225 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.29 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.476 ' HA ' HG21 ' A' ' 103' ' ' THR . 43.1 m80 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 113.163 0.801 . . . . 0.61 113.163 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.9 p -157.24 165.97 34.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.306 0.574 . . . . 0.28 111.779 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.56 149.31 6.22 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.578 -1.192 . . . . 0.15 110.501 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.53 118.27 9.9 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.239 0.542 . . . . 0.19 111.719 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.79 172.12 10.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.145 -0.934 . . . . 0.16 110.448 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.54 135.04 59.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.392 -0.596 . . . . 0.36 109.392 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -140.68 119.11 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.39 110.586 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 52.53 58.19 5.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.375 -0.829 . . . . 1.33 112.131 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 4.1 mptt 70.36 14.57 7.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.328 -1.305 . . . . 2.23 113.731 170.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -132.76 148.49 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 0.26 110.274 171.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.641 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.5 t -100.84 154.57 18.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.709 -0.678 . . . . 1.29 112.1 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.98 -145.23 5.62 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.039 -0.982 . . . . 0.17 112.132 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.74 147.2 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.231 0.612 . . . . 0.18 109.736 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.87 131.87 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.4 -1.333 . . . . 0.17 107.4 169.695 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.88 119.15 12.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.422 0.153 . . . . 0.15 111.264 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.03 128.09 46.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.317 1.056 . . . . 0.23 112.746 -173.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.442 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 5.6 m-20 -89.66 150.17 22.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.239 -1.801 . . . . 1.36 110.645 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' VAL . 41.2 mt-10 -117.08 -133.07 0.33 Allowed 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 126.838 2.055 . . . . 1.47 108.261 -173.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.86 24.21 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 129.562 3.145 . . . . 3.67 116.34 -167.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.3 m -96.11 -167.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.672 0 N-CA-C 105.866 -1.902 . . . . 0.9 105.866 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -70.49 152.76 95.36 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 106.039 -1.837 . . . . 1.23 106.039 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.4 Cg_exo -34.5 126.09 0.2 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.78 2.32 . . . . 0.56 113.762 -144.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -31.3 120.89 0.24 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 125.371 1.67 . . . . 0.27 111.975 -165.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -115.57 140.9 48.74 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.773 -0.648 . . . . 0.69 110.554 -168.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.21 126.62 47.95 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.342 -0.614 . . . . 0.59 109.342 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.447 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.7 m -114.92 107.35 15.27 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 116.069 -0.514 . . . . 0.22 111.047 -172.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 71.7 t90 -89.88 122.83 33.29 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.118 . . . . 0.22 107.98 168.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.7 ptt180 -130.3 138.67 50.58 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.94 -0.573 . . . . 1.93 109.615 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.515 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.1 p -70.2 161.18 30.75 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.375 -0.83 . . . . 0.27 110.663 -170.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -55.07 -37.71 67.12 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.923 0.392 . . . . 0.97 111.441 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.56 -26.35 63.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.954 -0.566 . . . . 2.57 111.118 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.58 -0.12 67.56 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.977 -0.63 . . . . 1.07 111.695 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.83 -53.39 18.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 2.64 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 11.0 mttp -85.9 131.84 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 1.2 110.486 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.9 t -143.74 117.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.678 -0.86 . . . . 0.83 108.678 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.85 127.28 47.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.276 -0.638 . . . . 0.33 109.276 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -115.85 122.63 45.95 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.759 0.79 . . . . 0.32 112.017 -172.406 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 45' ' ' ILE . 27.7 t -103.75 100.48 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.638 -1.164 . . . . 0.23 109.947 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.32 116.32 9.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.1 -0.704 . . . . 0.63 109.1 175.21 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 25' ' ' ALA . 3.0 mm? -51.29 -26.66 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.804 1.039 . . . . 1.24 113.804 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.5 t -61.98 -17.64 57.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.771 0.32 . . . . 1.08 111.234 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -96.09 3.29 53.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.36 110.779 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.7 mm -98.57 146.8 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.933 -0.576 . . . . 0.36 111.217 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -109.64 -50.47 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.523 -0.762 . . . . 0.7 110.489 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.65 ' HD3' ' N ' ' A' ' 48' ' ' LEU . 3.2 tmtp? -135.21 159.01 42.89 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.049 -0.722 . . . . 1.56 109.049 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -127.22 138.57 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.914 -0.491 . . . . 1.37 110.229 171.772 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 66.8 mt-30 -127.2 148.16 50.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 2.28 110.36 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.94 148.71 45.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.995 -0.548 . . . . 0.43 109.815 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.55 112.221 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 120.979 0.419 . . . . 2.29 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.1 mpp? -71.74 118.2 14.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.85 -0.614 . . . . 1.13 110.701 178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -152.11 139.95 19.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.63 111.867 -172.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.5 mm? -125.1 146.65 49.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.167 -0.469 . . . . 0.48 109.865 170.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' NH2' ' HD2' ' A' ' 86' ' ' ARG . 58.2 mtp180 -120.49 141.74 49.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.432 0.634 . . . . 2.37 110.895 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.0 mm? -106.93 105.28 15.23 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.29 -1.374 . . . . 0.7 107.29 173.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -87.54 97.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.208 -1.034 . . . . 0.41 108.208 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -74.07 158.74 52.26 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.915 -0.584 . . . . 0.37 112.212 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mttt . . . . . 0 N--CA 1.437 -1.104 0 CA-C-O 122.313 1.054 . . . . 1.16 112.118 -177.266 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 109.473 -0.566 . . . . 2.01 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD2' ' NH2' ' A' ' 61' ' ' ARG . 6.8 mtm180 -105.61 141.85 36.36 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.341 0.867 . . . . 2.24 113.341 -171.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -117.87 114.96 24.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.739 -1.208 . . . . 0.6 107.739 172.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.9 ttm -107.86 127.63 53.9 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.324 -0.551 . . . . 0.73 110.612 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 28.5 m-85 -119.55 136.87 54.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.94 110.381 -178.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.609 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 50.9 m -100.44 126.36 46.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.682 -0.69 . . . . 1.3 111.199 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.9 m-85 -112.17 178.12 4.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.305 0.574 . . . . 0.32 109.99 175.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -134.58 17.3 3.62 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.228 -0.896 . . . . 1.17 110.956 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -141.63 133.44 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 1.62 110.188 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.96 -39.6 72.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.751 -0.659 . . . . 3.68 111.437 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.7 m -62.61 -49.01 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.555 -0.293 . . . . 0.5 110.327 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 91' ' ' PHE . 52.6 t -47.11 -55.96 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.27 110.714 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 9.9 mtp -45.21 -64.51 0.7 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 123.41 0.444 . . . . 0.84 112.052 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.49 -40.87 72.25 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.515 0.509 . . . . 0.67 112.001 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.61 -53.42 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 1.55 110.266 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 104' ' ' LEU . 45.7 mm -55.45 -49.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.588 -0.523 . . . . 0.22 109.588 174.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.57 ' CG ' HD11 ' A' ' 60' ' ' LEU . 29.0 mtpt -41.68 -63.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.839 -0.619 . . . . 0.92 111.234 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mtm -62.92 -46.79 86.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.656 -1.156 . . . . 1.41 112.053 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.476 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.8 m -50.98 -48.95 61.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.139 0.495 . . . . 0.27 111.533 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -75.33 -50.24 16.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.391 -0.822 . . . . 1.03 109.469 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 9.9 tm0? -53.6 -46.93 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.711 -1.131 . . . . 1.72 111.67 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 23.5 mm-40 -61.52 -46.27 90.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.679 -0.237 . . . . 2.21 111.469 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.2 mt -62.01 -41.31 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 110.066 -0.346 . . . . 0.39 110.066 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 92.4 mt -58.08 -51.18 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.411 173.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.0 t -57.41 -32.5 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 1.32 110.722 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.7 mtt180 -67.91 -29.28 68.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.488 -0.324 . . . . 2.87 111.461 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 2.75 109.624 175.627 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' HG21 ' A' ' 103' ' ' THR . 50.3 m80 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 111.437 0.162 . . . . 0.61 111.437 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.3 p -148.09 166.24 28.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.414 0.626 . . . . 0.28 112.057 -176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.46 153.41 8.22 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 114.56 -1.2 . . . . 0.15 110.514 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.635 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.24 114.89 6.33 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.372 0.606 . . . . 0.19 111.963 -172.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.833 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.22 175.57 6.59 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.16 110.165 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.28 137.2 56.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 110.377 -0.231 . . . . 0.36 110.377 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.499 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 48.1 t80 -150.32 133.55 16.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.842 -0.799 . . . . 0.39 108.842 -178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.499 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 39.6 mt-10 65.03 33.83 9.33 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.168 0.508 . . . . 1.33 111.029 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.89 -5.74 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.837 -1.074 . . . . 2.23 112.816 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.497 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -96.82 148.28 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.5 m -96.26 153.59 17.72 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.876 -0.602 . . . . 1.29 111.498 -176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -171.07 -146.9 5.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.709 -0.678 . . . . 0.17 111.898 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.24 144.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.566 -0.531 . . . . 0.18 109.566 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.33 133.34 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.16 -1.422 . . . . 0.17 107.16 171.067 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.91 107.93 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.846 0.355 . . . . 0.15 111.879 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.621 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -90.1 126.0 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.106 0.479 . . . . 0.23 110.245 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -112.44 127.68 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.611 -0.722 . . . . 1.36 111.39 -173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 33.0 mt-10 -121.42 72.68 1.01 Allowed 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.038 -1.097 . . . . 1.47 108.038 167.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.54 -25.1 9.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 123.068 1.413 . . . . 3.67 108.502 165.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.27 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 112.049 -2.341 . . . . 0.9 112.374 -161.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -73.51 169.35 18.7 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 105.79 -1.93 . . . . 1.23 105.79 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.0 Cg_exo -34.4 125.93 0.19 Allowed 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.354 2.036 . . . . 0.56 113.806 -144.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -37.63 128.95 1.12 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.805 -1.543 . . . . 0.27 112.375 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.06 148.96 39.67 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.23 0.538 . . . . 0.69 110.147 -176.398 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.37 130.6 50.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.276 -0.875 . . . . 0.59 109.109 -178.623 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.0 m -122.35 107.07 11.66 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.262 -0.426 . . . . 0.22 110.855 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.64 130.46 35.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.434 -0.95 . . . . 0.22 108.434 171.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.827 ' HB3' HG22 ' A' ' 37' ' ' VAL . 7.0 ptt180 -140.6 136.21 32.55 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.045 0.45 . . . . 1.93 110.475 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.539 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 90.1 p -67.14 156.53 35.95 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.304 -0.862 . . . . 0.27 110.799 -171.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' HA2' ' A' ' 14' ' ' GLY . 39.3 p -61.28 -23.95 66.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.142 0.496 . . . . 0.97 110.54 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.45 -0.796 . . . . 2.57 110.271 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.57 12.62 60.79 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.542 -0.754 . . . . 1.07 111.955 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -58.91 1.87 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.842 0.354 . . . . 2.64 111.376 -176.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.4 tttp -72.46 119.72 17.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.134 -0.485 . . . . 1.2 109.932 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.827 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.1 t -135.14 128.54 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.051 -0.722 . . . . 0.83 109.051 -178.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.538 ' O ' ' HA ' ' A' ' 28' ' ' THR . 6.4 m80 -128.42 134.12 48.72 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.241 -0.651 . . . . 0.33 109.241 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.29 125.8 48.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.285 0.564 . . . . 0.32 111.572 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.7 102.84 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.094 0.958 . . . . 0.23 110.705 -176.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -67.71 117.16 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.466 0.65 . . . . 0.63 109.562 175.495 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.72 -14.61 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.075 -0.966 . . . . 1.24 112.682 -169.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 35.0 t -65.9 -17.26 64.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.672 0.272 . . . . 1.08 110.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -97.64 4.59 50.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.797 0.332 . . . . 0.36 110.613 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 8.0 mm -104.86 136.87 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.496 -0.32 . . . . 0.36 110.282 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -92.34 -42.59 9.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.91 0.386 . . . . 0.7 110.844 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HB3' HG13 ' A' ' 63' ' ' ILE . 20.7 tptm -145.19 173.86 11.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.338 0.589 . . . . 1.56 110.278 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.48 154.31 45.46 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.732 -0.84 . . . . 1.37 108.732 168.575 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.5 mm-40 -143.87 149.36 36.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.577 -0.738 . . . . 2.28 110.079 -170.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -125.88 163.49 22.83 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.894 -0.323 . . . . 0.43 110.467 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 112.027 0.38 . . . . 0.55 112.027 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.381 0.61 . . . . 2.29 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 12.4 mtm -96.75 122.41 39.67 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.355 -0.839 . . . . 1.13 110.845 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.574 ' HB3' HG23 ' A' ' 51' ' ' THR . 19.0 tpp -151.37 141.5 22.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.63 110.868 -172.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.7 mm? -119.5 142.73 48.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.48 109.326 170.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.6 mtm180 -114.59 146.04 41.27 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.695 -0.684 . . . . 2.37 110.195 172.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -115.15 113.57 24.14 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.147 -0.933 . . . . 0.7 108.828 174.174 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.677 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.4 mm -86.79 97.33 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 107.72 -1.215 . . . . 0.41 107.72 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -69.82 146.13 42.85 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.165 -1.017 . . . . 0.37 112.307 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mttt . . . . . 0 N--CA 1.441 -0.906 0 CA-C-O 121.181 0.515 . . . . 1.16 110.331 177.806 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.298 0.571 . . . . 2.01 110.031 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 63' ' ' ILE . 14.6 mtm180 -102.72 136.0 43.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.63 0.728 . . . . 2.24 112.745 -173.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 89.1 m-70 -108.35 124.84 50.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.546 -1.206 . . . . 0.6 108.429 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.5 ttm -118.06 129.62 55.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.789 -0.365 . . . . 0.73 110.868 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -130.56 137.93 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.94 110.142 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.1 t -100.96 134.17 44.35 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.623 0.249 . . . . 1.3 111.299 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.833 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 89.7 m-85 -113.1 177.39 4.65 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.631 -0.507 . . . . 0.32 109.631 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.46 34.5 2.05 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.677 -0.692 . . . . 1.17 110.503 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -154.67 131.04 10.45 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.46 -0.791 . . . . 1.62 109.867 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -68.1 -36.87 80.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.494 -0.775 . . . . 3.68 111.991 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 m -63.8 -48.46 76.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.5 110.36 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 100' ' ' ILE . 54.3 t -49.4 -53.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.27 110.88 174.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.49 ' CE ' ' HB1' ' A' ' 50' ' ' ALA . 10.6 mtp -47.54 -54.05 12.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.015 0.376 . . . . 0.84 112.015 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 36.2 t70 -65.67 -38.53 89.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 0.67 111.418 -175.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.1 -51.48 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.55 110.742 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.768 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.8 mm -59.73 -40.98 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.676 -0.49 . . . . 0.22 109.676 175.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 28.4 mtmt -51.3 -63.41 1.14 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.92 110.284 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mtm -58.73 -44.88 90.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.051 -0.977 . . . . 1.41 111.98 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.433 HG21 ' HA ' ' A' ' 3' ' ' HIS . 65.9 m -54.31 -54.37 41.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.27 110.878 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.6 mp -69.97 -49.31 53.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.3 -0.63 . . . . 1.03 109.3 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.4 tm0? -47.9 -56.21 8.08 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.297 -0.865 . . . . 1.72 112.553 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.29 -46.13 78.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.55 0.204 . . . . 2.21 111.55 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 25' ' ' ALA . 77.3 mt -60.98 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.39 110.591 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.1 mt -55.39 -52.19 48.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.4 110.678 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.8 m -62.91 -19.91 64.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.227 -0.442 . . . . 1.32 111.663 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -29.36 27.81 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.156 0.503 . . . . 2.87 109.953 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.495 0.664 . . . . 2.75 109.713 173.201 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.458 ' HA ' HG21 ' A' ' 103' ' ' THR . 37.1 m80 . . . . . 0 C--O 1.221 -0.438 0 N-CA-C 111.636 0.236 . . . . 0.61 111.636 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.606 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.6 p -148.51 162.59 39.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.736 0.779 . . . . 0.28 112.956 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.21 153.84 8.69 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 113.88 -1.509 . . . . 0.15 110.16 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.5 119.2 11.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.327 0.584 . . . . 0.19 112.187 -171.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.76 177.13 7.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.842 -1.072 . . . . 0.16 109.962 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.646 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.11 137.27 56.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 110.307 -0.257 . . . . 0.36 110.307 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.695 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 54.5 t80 -150.44 134.46 16.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.628 -0.879 . . . . 0.39 108.628 -178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.695 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.5 mt-10 65.02 32.42 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.069 0.461 . . . . 1.33 110.919 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.5 mmtm 68.81 -8.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.045 -0.98 . . . . 2.23 112.895 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.538 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -95.5 148.37 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.742 -0.836 . . . . 0.26 108.742 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.646 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.4 m -99.34 151.91 20.54 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.862 -0.608 . . . . 1.29 111.521 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.578 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.34 -143.79 4.55 Favored Glycine 0 CA--C 1.5 -0.845 0 C-N-CA 120.883 -0.675 . . . . 0.17 112.824 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -124.54 143.36 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 110.144 -0.317 . . . . 0.18 110.144 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.46 131.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.048 -1.464 . . . . 0.17 107.048 172.376 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.79 110.71 6.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.126 0.417 . . . . 0.15 112.126 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -93.22 129.39 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.065 0.46 . . . . 0.23 110.391 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -114.84 124.35 51.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.413 -0.812 . . . . 1.36 110.194 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 24.1 mt-10 -120.52 72.5 0.96 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.067 -1.086 . . . . 1.47 108.067 168.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.34 -23.77 10.16 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 123.315 1.531 . . . . 3.67 108.423 166.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.0 -170.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 111.709 -2.496 . . . . 0.9 112.128 -161.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.46 169.81 16.7 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 105.752 -1.944 . . . . 1.23 105.752 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.614 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 76.2 Cg_exo -32.84 125.01 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.627 2.218 . . . . 0.56 113.52 -145.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.564 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.0 132.33 0.52 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 125.512 1.757 . . . . 0.27 112.237 -169.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.08 144.28 43.88 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.241 -0.584 . . . . 0.69 110.112 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -102.91 127.44 50.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.083 -0.962 . . . . 0.59 108.69 179.107 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.5 m -117.34 106.75 13.58 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.958 -0.565 . . . . 0.22 110.453 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.61 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 73.1 t90 -89.78 120.53 31.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.931 -1.137 . . . . 0.22 107.931 170.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.745 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 24.4 ptt85 -129.45 128.86 43.8 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.96 -0.563 . . . . 1.93 109.871 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 53.9 p -61.2 145.04 52.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.262 0.553 . . . . 0.27 111.054 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.488 ' H ' ' HA2' ' A' ' 14' ' ' GLY . 14.8 t -80.26 -7.53 59.06 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.603 -1.258 . . . . 0.97 107.603 172.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.17 22.25 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.074 -1.876 . . . . 2.57 111.4 -176.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.9 23.16 5.41 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.263 -0.97 . . . . 1.07 113.531 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 67.83 57.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.801 0.81 . . . . 2.64 112.317 166.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.745 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.3 tttt -82.25 117.14 22.14 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.533 -1.284 . . . . 1.2 107.533 166.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CB ' ' A' ' 30' ' ' ARG . 22.4 t -115.72 130.71 69.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.229 0.538 . . . . 0.83 111.982 -164.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -133.02 122.52 24.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.568 -0.901 . . . . 0.33 108.568 177.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.89 124.47 52.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.522 0.677 . . . . 0.32 111.866 -172.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -105.59 101.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.744 -1.116 . . . . 0.23 109.914 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.5 115.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.327 -0.99 . . . . 0.63 108.327 172.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 70.0 mt -61.44 -23.41 65.83 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.607 -1.179 . . . . 1.24 112.775 -167.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.614 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 22.7 t -54.28 -17.09 2.56 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.08 -0.388 . . . . 1.08 111.548 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -93.64 1.77 56.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 120.678 0.275 . . . . 0.36 111.281 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.9 mm -99.63 141.48 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.922 0.391 . . . . 0.36 111.094 -177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 24.1 t70 -103.17 -48.46 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.7 110.549 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' A' ' 48' ' ' LEU . 19.6 tptm -134.52 172.97 12.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.165 0.507 . . . . 1.56 110.134 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.55 142.34 33.53 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.845 -0.798 . . . . 1.37 108.845 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.0 mt-30 -136.34 160.47 38.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.626 -0.261 . . . . 2.28 110.396 -177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.652 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -149.33 166.18 29.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.156 -0.474 . . . . 0.43 110.319 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 59' ' ' MET . 2.6 p . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 120.955 0.407 . . . . 0.55 111.415 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 4.2 ptpp? . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 121.453 0.644 . . . . 2.29 111.503 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -94.78 112.54 24.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.273 -0.876 . . . . 1.13 109.323 -177.297 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 12.0 tpp -131.71 135.71 47.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.415 -0.357 . . . . 0.63 110.882 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -117.14 148.15 41.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.917 -0.583 . . . . 0.48 109.478 173.502 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 96.1 mtt180 -121.23 147.86 45.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.45 0.643 . . . . 2.37 111.347 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -111.1 107.13 16.4 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 107.512 -1.292 . . . . 0.7 107.512 170.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.518 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.49 98.13 7.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.304 -0.999 . . . . 0.41 108.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -73.93 141.13 28.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.177 -1.011 . . . . 0.37 112.443 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 18.2 mttt . . . . . 0 CA--C 1.504 -0.81 0 N-CA-C 107.696 -1.224 . . . . 1.16 107.696 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 107.347 -1.353 . . . . 2.01 107.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HG2' HD13 ' A' ' 63' ' ' ILE . 20.0 mtm180 -100.8 146.79 26.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.756 0.789 . . . . 2.24 112.541 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -115.55 136.88 52.63 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.296 . . . . 0.6 107.999 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -125.61 133.44 52.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.19 -0.604 . . . . 0.73 111.258 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE1' HD23 ' A' ' 62' ' ' LEU . 20.6 m-85 -128.57 139.09 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.94 109.996 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.6 t -110.91 136.57 49.74 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.581 -0.281 . . . . 1.3 110.452 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 41.9 m-85 -112.35 178.76 4.19 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.624 -0.88 . . . . 0.32 108.624 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.497 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 21.0 p30 -130.69 33.78 4.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.357 0.598 . . . . 1.17 110.207 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.466 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 24.6 t-20 -153.72 123.45 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.331 -0.85 . . . . 1.62 109.544 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -62.15 -38.47 89.12 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 3.68 111.309 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 58.6 m -64.54 -51.53 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.51 -0.314 . . . . 0.5 110.816 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.3 t -48.13 -58.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.863 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.656 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.6 ptm -55.29 -46.48 76.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.69 -0.404 . . . . 0.84 111.684 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.656 ' N ' ' HG3' ' A' ' 97' ' ' MET . 20.5 t70 -63.94 -40.21 95.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.511 -0.768 . . . . 0.67 111.706 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.29 -44.83 58.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.044 -0.526 . . . . 1.55 111.132 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.811 ' O ' HD13 ' A' ' 104' ' ' LEU . 42.8 mm -58.12 -45.18 88.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 N-CA-C 109.182 -0.673 . . . . 0.22 109.182 170.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.652 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 19.9 mtmt -42.91 -64.04 0.69 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.222 0.534 . . . . 0.92 111.509 175.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.3 ttp -57.47 -52.59 64.75 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.893 -1.049 . . . . 1.41 111.798 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.458 HG21 ' HA ' ' A' ' 3' ' ' HIS . 57.2 m -50.51 -45.47 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.302 -0.863 . . . . 0.27 111.323 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.7 mp -75.15 -50.74 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.491 0.662 . . . . 1.03 109.314 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -58.24 -44.66 88.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.476 -1.238 . . . . 1.72 112.368 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 84.4 mm-40 -63.3 -45.92 89.13 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.487 -0.133 . . . . 2.21 111.226 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 25' ' ' ALA . 80.2 mt -56.35 -44.01 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.706 -0.479 . . . . 0.39 109.706 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.814 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 70.1 mt -58.08 -54.9 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 115.489 -0.778 . . . . 0.4 110.776 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -59.86 -22.35 62.19 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.6 -0.727 . . . . 1.32 110.833 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 97.5 mtt180 -72.45 -46.1 56.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.098 -0.501 . . . . 2.87 110.771 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 . . . . . 0 N--CA 1.461 0.108 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.581 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.44 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.9 m80 . . . . . 0 CA--C 1.519 -0.238 0 N-CA-C 112.03 0.382 . . . . 0.61 112.03 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.5 p -152.15 161.93 41.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.864 0.84 . . . . 0.28 112.778 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.02 149.47 7.51 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 113.903 -1.499 . . . . 0.15 110.413 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.83 117.74 9.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.37 0.605 . . . . 0.19 111.476 -174.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.799 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.64 170.67 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.024 -0.989 . . . . 0.16 109.776 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.66 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -129.74 134.34 63.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 109.578 -0.527 . . . . 0.36 109.578 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 45.4 t80 -147.35 130.36 16.31 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.276 -0.638 . . . . 0.39 109.276 -174.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.644 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.2 mt-10 62.35 40.56 11.08 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.279 0.561 . . . . 1.33 111.133 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 6.3 mptt 64.86 4.1 2.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.933 -1.031 . . . . 2.23 113.289 177.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.8 p -112.39 148.53 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.646 -0.502 . . . . 0.26 109.646 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.66 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 t -97.04 153.39 17.96 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.815 -0.63 . . . . 1.29 111.957 -174.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -175.08 -150.31 7.78 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.431 -0.804 . . . . 0.17 111.968 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.48 146.03 29.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.58 -0.526 . . . . 0.18 109.58 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -99.91 131.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.104 -1.443 . . . . 0.17 107.104 171.256 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.74 113.4 8.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.847 0.356 . . . . 0.15 111.554 -170.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.702 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -93.46 125.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.546 0.689 . . . . 0.23 111.711 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.59 141.12 31.82 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.395 -1.275 . . . . 1.36 110.662 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 22' ' ' VAL . 34.0 mt-10 -115.81 -147.18 0.41 Allowed 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 103.473 -2.788 . . . . 1.47 103.473 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -31.04 31.54 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 130.377 3.471 . . . . 3.67 118.271 -141.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.8 m -95.69 -166.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.869 0 CA-C-N 113.09 -1.868 . . . . 0.9 106.77 171.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.1 m -69.52 159.28 84.28 Favored Pre-proline 0 C--N 1.31 -1.151 0 N-CA-C 105.805 -1.924 . . . . 1.23 105.805 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.1 Cg_exo -36.18 127.14 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.458 2.105 . . . . 0.56 113.262 -149.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -34.79 128.93 0.45 Allowed 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.007 1.442 . . . . 0.27 111.667 -165.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -128.93 141.91 51.11 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.812 -0.631 . . . . 0.69 111.217 -168.168 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -102.56 129.78 49.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.561 -0.903 . . . . 0.59 108.561 177.836 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -122.39 107.93 12.63 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.513 -0.312 . . . . 0.22 111.22 -171.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.1 t90 -91.07 118.2 30.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.884 -0.726 . . . . 0.22 109.042 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.826 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.2 ptt180 -119.5 130.31 55.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.836 -0.62 . . . . 1.93 110.09 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.1 p -65.78 151.86 45.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.124 -0.489 . . . . 0.27 110.014 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.6 p -49.76 -38.38 33.64 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.97 111.347 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.26 -28.59 69.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.53 -0.759 . . . . 2.57 111.573 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.76 11.94 57.36 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.742 -0.663 . . . . 1.07 111.571 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.17 -47.28 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.014 0.435 . . . . 2.64 111.409 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.0 mttt -90.68 133.04 35.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.174 -0.466 . . . . 1.2 110.744 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.826 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -143.44 117.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.651 -0.87 . . . . 0.83 108.651 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -120.64 114.67 22.03 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.241 -0.652 . . . . 0.33 109.241 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.81 125.81 49.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.422 0.629 . . . . 0.32 111.429 -172.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.99 100.96 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.972 -1.013 . . . . 0.23 110.146 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.6 113.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.573 -0.899 . . . . 0.63 108.573 175.05 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.6 -22.3 8.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.894 1.072 . . . . 1.24 113.894 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 40.9 m -62.37 -16.87 57.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 1.08 111.363 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -102.03 8.45 40.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.36 110.717 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.8 mm -109.45 142.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.299 -0.41 . . . . 0.36 110.722 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 18.5 t70 -109.13 -40.07 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.086 -0.506 . . . . 0.7 111.353 -173.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.6 tmtp? -135.27 174.74 10.27 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.181 0.515 . . . . 1.56 111.154 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -144.72 139.53 27.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.233 -0.894 . . . . 1.37 109.219 177.88 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 96.7 mt-30 -133.18 151.94 51.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.639 -0.255 . . . . 2.28 110.403 -177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.41 145.54 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.46 -0.336 . . . . 0.43 110.461 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 0.55 111.293 179.447 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 N--CA 1.435 -1.224 0 CA-C-O 121.372 0.606 . . . . 2.29 111.866 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -137.27 113.0 9.52 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.182 -0.917 . . . . 1.13 110.161 -174.253 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.4 tpp -144.02 143.53 31.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.48 -0.782 . . . . 0.63 111.411 -170.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.8 mm? -116.43 147.37 41.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.04 0.448 . . . . 0.48 109.801 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.546 ' NE ' ' HD2' ' A' ' 86' ' ' ARG . 73.9 mtt180 -121.06 146.13 47.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.597 0.713 . . . . 2.37 111.542 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -111.49 105.02 13.48 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.238 -1.346 . . . . 0.7 108.43 173.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 14.0 mm -87.11 99.91 9.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.787 -0.82 . . . . 0.41 108.787 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -64.67 155.59 47.56 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.849 -0.691 . . . . 0.37 113.103 -174.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 60.0 mttt . . . . . 0 C--N 1.319 -0.759 0 CA-C-O 121.98 0.895 . . . . 1.16 112.439 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.298 0.57 . . . . 2.01 109.877 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HD2' ' NE ' ' A' ' 61' ' ' ARG . 21.0 ttp180 -111.16 140.18 45.92 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.654 -0.703 . . . . 2.24 112.71 -167.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.8 m-70 -102.69 155.67 18.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.48 -0.933 . . . . 0.6 108.48 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.1 ttm -138.49 133.01 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.1 -0.24 . . . . 0.73 110.408 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -127.52 137.74 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.932 -0.396 . . . . 0.94 109.932 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 30.2 m -100.88 129.14 46.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.054 -0.521 . . . . 1.3 111.325 -175.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.799 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.6 m-85 -113.42 177.59 4.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.32 111.01 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -134.01 26.76 3.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.06 -0.973 . . . . 1.17 110.736 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -160.88 131.26 5.19 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.146 -0.316 . . . . 1.62 110.146 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 97' ' ' MET . 8.5 mpt_? -67.48 -30.89 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.361 -0.381 . . . . 3.68 111.062 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -61.84 -53.3 57.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.923 0.392 . . . . 0.5 110.213 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 91' ' ' PHE . 80.9 t -52.57 -49.11 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.27 110.428 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 62.2 mmm -45.88 -57.3 4.46 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.607 0.595 . . . . 0.84 112.607 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 14.2 t70 -66.15 -38.99 89.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -174.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.59 -56.09 9.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 1.55 110.997 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.1 mm -59.05 -39.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.22 109.964 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 18.1 mtmt -49.75 -64.1 0.91 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.502 0.668 . . . . 0.92 110.619 174.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttm -58.52 -49.87 75.83 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 114.248 -1.342 . . . . 1.41 112.046 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.44 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.6 m -52.19 -46.68 65.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.27 111.887 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.5 mp -77.04 -50.48 13.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 1.03 109.661 -175.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.51 -47.9 63.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.768 -1.106 . . . . 1.72 111.88 -178.338 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 59.8 mt-30 -62.03 -47.37 85.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.717 0.294 . . . . 2.21 111.111 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 70.5 mt -62.9 -41.59 93.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.239 -0.437 . . . . 0.39 110.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.58 -47.0 92.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.281 -0.418 . . . . 0.4 110.015 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.5 t -57.38 -34.57 68.99 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.07 -0.514 . . . . 1.32 110.926 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.2 mtt180 -60.91 -41.41 96.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.117 0.484 . . . . 2.87 110.566 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.77 0.795 . . . . 2.75 109.789 -178.324 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 . . . . . 0 C--O 1.222 -0.358 0 N-CA-C 112.547 0.573 . . . . 0.61 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 16.7 p -162.16 159.59 26.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.7 0.762 . . . . 0.28 112.828 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.69 151.01 9.19 Favored Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 114.216 -1.356 . . . . 0.15 110.427 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.633 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.75 115.58 9.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.232 0.539 . . . . 0.19 112.146 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.834 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.28 173.55 8.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.18 -0.918 . . . . 0.16 110.23 -175.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -129.51 137.52 56.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 110.044 -0.354 . . . . 0.36 110.044 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 45.8 t80 -149.98 129.87 13.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.293 -0.632 . . . . 0.39 109.293 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 48.8 mt-10 63.2 42.2 7.3 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.309 0.576 . . . . 1.33 111.244 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -4.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 2.23 113.183 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -104.89 147.71 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.641 -0.503 . . . . 0.26 109.641 175.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.636 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.4 t -96.28 157.02 16.09 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.59 -0.732 . . . . 1.29 111.348 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.12 -146.19 5.86 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.165 -0.925 . . . . 0.17 111.851 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.51 146.86 30.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.57 -0.53 . . . . 0.18 109.57 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.55 131.51 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.372 -1.344 . . . . 0.17 107.372 169.619 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 118.15 12.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.77 0.319 . . . . 0.15 111.775 -170.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.54 122.48 47.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.392 0.615 . . . . 0.23 110.68 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -99.66 145.85 27.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.76 -1.109 . . . . 1.36 109.751 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 22' ' ' VAL . 41.6 mt-10 -111.87 -146.27 0.41 Allowed 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 105.833 -1.914 . . . . 1.47 105.833 -174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.68 30.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 131.13 3.772 . . . . 3.67 118.295 -142.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 20' ' ' GLU . 32.9 m -94.88 -168.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.265 -3.106 0 CA-C-N 113.334 -1.757 . . . . 0.9 106.413 169.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -69.64 149.58 96.86 Favored Pre-proline 0 C--N 1.305 -1.333 0 N-CA-C 106.131 -1.803 . . . . 1.23 106.131 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 41' ' ' VAL . 83.9 Cg_exo -34.53 125.43 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.964 2.443 . . . . 0.56 113.977 -142.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -24.99 125.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 125.647 1.842 . . . . 0.27 112.694 -168.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 6.0 mt-10 -114.46 142.79 45.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.692 0.758 . . . . 0.69 111.047 -169.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -103.47 113.72 27.45 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.475 -1.305 . . . . 0.59 107.475 -176.064 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 8.5 m -115.43 107.84 15.71 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.931 -0.577 . . . . 0.22 111.2 -170.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 75.9 t90 -88.0 129.02 35.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.793 -1.188 . . . . 0.22 107.793 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.769 ' CB ' HG12 ' A' ' 37' ' ' VAL . 13.3 ptt180 -137.68 135.62 36.65 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.835 0.826 . . . . 1.93 110.831 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -64.88 151.71 44.87 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.045 -1.434 . . . . 0.27 110.472 -173.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.46 HG23 ' HA2' ' A' ' 14' ' ' GLY . 19.8 p -53.47 -25.91 18.3 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.278 0.844 . . . . 0.97 113.278 -169.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -83.28 -22.76 32.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.186 0.517 . . . . 2.57 111.034 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 6.23 58.87 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.999 -0.62 . . . . 1.07 112.155 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.84 -64.19 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.799 0.333 . . . . 2.64 111.342 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.4 tttp -85.05 119.44 25.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.019 -0.537 . . . . 1.2 111.007 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.769 HG12 ' CB ' ' A' ' 30' ' ' ARG . 12.6 m -129.88 150.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.387 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.568 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m-70 -142.61 120.59 12.06 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.453 -0.943 . . . . 0.33 108.453 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.469 HG23 ' OG1' ' A' ' 28' ' ' THR . 1.0 OUTLIER -109.63 116.87 32.53 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.667 0.746 . . . . 0.32 111.738 -172.591 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.556 ' CG1' HD11 ' A' ' 45' ' ' ILE . 58.0 t -103.77 99.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.87 -1.059 . . . . 0.23 110.755 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.84 116.99 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.901 -0.777 . . . . 0.63 108.901 175.238 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 25' ' ' ALA . 2.4 mm? -51.75 -23.2 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.067 1.136 . . . . 1.24 114.067 -172.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -68.5 -11.33 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.944 0.402 . . . . 1.08 111.005 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 p -100.65 6.77 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 0.36 110.526 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.57 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.0 mm -99.33 146.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.972 -0.558 . . . . 0.36 111.839 -178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -115.8 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.7 110.91 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 48.9 tptt -135.28 174.54 10.5 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.981 -0.378 . . . . 1.56 109.981 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.08 135.12 25.41 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.791 -0.818 . . . . 1.37 108.791 172.609 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 12.8 mm100 -125.32 147.03 49.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.266 -0.424 . . . . 2.28 110.153 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.68 155.12 48.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.103 -0.498 . . . . 0.43 109.981 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 59' ' ' MET . 5.8 p . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.92 0.39 . . . . 0.55 111.752 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.406 0.622 . . . . 2.29 111.42 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.649 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 15.5 mtm -101.77 112.72 25.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.933 -1.031 . . . . 1.13 110.036 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.475 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.4 tpp -140.32 141.3 35.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.009 -0.541 . . . . 0.63 110.238 -176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.674 HD11 ' HG3' ' A' ' 101' ' ' LYS . 2.2 mm? -116.81 150.82 37.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.173 -0.467 . . . . 0.48 110.147 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 82.6 mtt180 -126.37 133.85 51.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 2.37 110.932 170.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.883 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.3 mm? -96.6 107.17 19.55 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.913 -1.143 . . . . 0.7 107.913 171.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.8 mm -87.52 99.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 C-N-CA 120.11 -0.636 . . . . 0.41 109.472 -177.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.57 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.58 158.69 53.65 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.721 -0.951 . . . . 0.37 110.721 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 82.9 mttt . . . . . 0 N--CA 1.435 -1.189 0 CA-C-O 121.765 0.793 . . . . 1.16 110.049 178.221 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.259 -0.645 . . . . 2.01 109.259 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 13.5 ptt180 -119.32 158.32 26.34 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.439 0.638 . . . . 2.24 111.904 -173.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.537 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 82.0 m-70 -116.08 145.92 42.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.762 -1.108 . . . . 0.6 108.557 -177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.2 ttm -132.09 129.33 39.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 118.581 0.628 . . . . 0.73 112.332 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.883 ' CE2' HD23 ' A' ' 62' ' ' LEU . 1.5 m-85 -126.43 132.99 51.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.435 -0.802 . . . . 0.94 111.78 -173.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.471 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 8.7 t -100.82 128.25 46.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.401 -0.363 . . . . 1.3 110.33 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.834 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.7 m-85 -112.34 176.95 4.8 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.247 -0.649 . . . . 0.32 109.247 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.91 31.03 2.75 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.313 0.578 . . . . 1.17 110.401 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -149.64 130.27 14.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.587 -0.733 . . . . 1.62 109.841 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.649 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 13.4 mmt180 -64.46 -43.91 92.76 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.101 -0.954 . . . . 3.68 111.572 -173.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.1 m -62.36 -48.22 80.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.5 110.792 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 91' ' ' PHE . 42.4 t -48.85 -59.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.764 -0.653 . . . . 0.27 111.945 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.6 ptm -60.08 -48.39 81.94 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.288 -0.565 . . . . 0.84 111.105 -174.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.658 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -58.09 -37.97 75.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.825 -0.625 . . . . 0.67 111.815 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -73.34 -54.05 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.912 -0.403 . . . . 1.55 109.912 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 104' ' ' LEU . 44.0 mm -50.89 -46.51 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.748 -0.66 . . . . 0.22 109.776 171.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 60' ' ' LEU . 25.1 mtpt -42.78 -64.0 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.443 0.64 . . . . 0.92 111.267 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.2 ttm -59.8 -53.8 53.76 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.626 -1.17 . . . . 1.41 112.174 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 107' ' ' ILE . 71.8 m -48.06 -46.21 33.18 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.451 0.47 . . . . 0.27 112.108 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.788 HD11 HD11 ' A' ' 18' ' ' ILE . 3.8 mp -74.03 -50.99 17.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.499 0.666 . . . . 1.03 109.33 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -56.13 -43.49 78.26 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.456 -1.247 . . . . 1.72 111.958 -178.447 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -62.86 -41.87 99.54 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.689 -0.232 . . . . 2.21 111.216 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.6 mt -66.39 -37.51 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.39 110.217 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 104' ' ' LEU . 76.0 mt -59.05 -53.44 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.203 0.525 . . . . 0.4 109.947 172.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 t -59.45 -35.62 74.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.754 . . . . 1.32 110.459 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -55.94 -36.7 68.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 123.256 0.622 . . . . 2.87 111.989 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 107' ' ' ILE . 28.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 2.75 110.539 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 N--CA 1.481 0.778 0 N-CA-C 111.601 -0.192 . . . . 3.6 111.601 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -82.11 44.85 0.88 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.947 0.403 . . . . 1.99 112.079 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -152.51 -7.41 0.2 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.61 111.0 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -150.6 173.84 13.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.18 -0.608 . . . . 0.28 112.48 -172.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.41 148.67 5.65 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 114.748 -1.115 . . . . 0.15 110.667 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.87 114.36 5.65 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.277 0.561 . . . . 0.19 111.873 -173.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.86 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.63 172.17 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.011 -0.995 . . . . 0.16 109.605 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -129.5 134.73 63.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 109.954 -0.387 . . . . 0.36 109.954 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.585 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 35.2 t80 -150.2 125.84 10.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.153 -0.476 . . . . 0.39 109.969 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 63.05 46.15 4.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.327 0.584 . . . . 1.33 111.405 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 69.11 -0.15 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.834 -1.075 . . . . 2.23 113.31 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -117.39 148.9 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.706 -0.479 . . . . 0.26 109.706 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.6 m -94.43 157.06 16.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.753 -0.658 . . . . 1.29 111.27 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.2 -147.49 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.997 -0.547 . . . . 0.17 112.159 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.68 146.01 32.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.467 -0.568 . . . . 0.18 109.467 175.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -100.13 133.09 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 107.297 -1.372 . . . . 0.17 107.297 170.231 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.06 108.74 5.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 0.15 112.085 -169.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 104' ' ' LEU . 3.2 mp -87.89 126.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.286 0.565 . . . . 0.23 109.945 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.08 121.13 42.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.417 -0.811 . . . . 1.36 110.657 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -120.89 70.73 0.91 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 118.981 -1.088 . . . . 1.47 108.622 167.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -112.82 -17.06 12.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.75 1.262 . . . . 3.67 108.612 161.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 29.0 m -107.31 -169.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 112.687 -2.051 . . . . 0.9 111.245 -162.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.0 m -72.97 169.06 19.15 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 105.655 -1.979 . . . . 1.23 105.655 174.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 23' ' ' SER . 50.5 Cg_exo -34.08 125.58 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.687 2.258 . . . . 0.56 113.541 -150.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.79 130.44 0.77 Allowed 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 113.826 -1.534 . . . . 0.27 112.683 -164.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.5 mt-10 -116.97 148.1 41.71 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 120.219 -0.592 . . . . 0.69 110.012 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.98 128.92 49.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.714 . . . . 0.59 109.078 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 6.5 m -122.93 108.58 13.11 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.133 -0.485 . . . . 0.22 111.434 -171.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.16 120.71 30.78 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.63 -0.828 . . . . 0.22 108.885 171.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.858 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -124.7 132.51 53.39 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.671 -0.695 . . . . 1.93 109.994 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 85.8 p -63.26 162.34 12.25 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.8 -0.636 . . . . 0.27 110.633 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -56.16 -35.01 66.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.212 0.53 . . . . 0.97 111.409 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.53 -28.49 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 2.57 110.96 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.91 -7.86 59.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 1.07 112.663 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.55 -50.47 65.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.127 0.489 . . . . 2.64 111.162 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 3.6 mttp -85.45 120.74 27.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.743 -0.662 . . . . 1.2 110.858 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.6 t -132.71 126.56 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.914 -0.773 . . . . 0.83 108.914 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m80 -129.22 115.98 18.47 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.327 -0.62 . . . . 0.33 109.327 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.9 OUTLIER -105.73 133.05 51.08 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.033 0.444 . . . . 0.32 111.38 -173.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 51.1 t -121.72 102.0 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.23 110.664 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.31 119.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.517 0.675 . . . . 0.63 109.828 175.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.92 -16.77 64.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.941 -1.027 . . . . 1.24 113.166 -168.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 26.8 t -65.27 -21.47 66.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 1.08 110.728 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.2 p -93.92 2.27 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.36 110.479 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.2 mm -99.13 139.76 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-N 115.874 -0.603 . . . . 0.36 111.807 -176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 15.8 t70 -98.6 -42.28 7.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 0.7 110.496 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.2 tmtt? -143.78 174.18 11.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.306 0.574 . . . . 1.56 110.554 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -147.26 154.77 41.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.146 166.469 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.5 mt-30 -142.21 162.92 34.24 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.04 -0.527 . . . . 2.28 110.545 -168.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.516 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.52 164.4 32.68 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.468 0.48 . . . . 0.43 110.087 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -68.84 134.23 90.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.55 111.625 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -60.51 147.31 94.8 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.784 2.323 . . . . 1.1 111.59 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.76 -20.2 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.6 -0.727 . . . . 1.58 112.233 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 p -70.36 -25.96 63.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.55 110.561 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -93.77 137.27 33.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.366 -0.605 . . . . 1.32 109.366 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.16 -30.78 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.113 -0.494 . . . . 2.37 111.52 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG3' HG21 ' A' ' 51' ' ' THR . 16.6 ptpt -68.87 155.05 40.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.203 0.525 . . . . 2.29 111.143 -174.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.6 mpt? -113.37 119.88 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.369 -173.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -146.08 140.1 26.5 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.927 -0.309 . . . . 0.63 111.161 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.1 mm? -120.67 153.5 36.81 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.041 -0.726 . . . . 0.48 109.041 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.3 mtt180 -123.14 153.15 40.38 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.227 -0.442 . . . . 2.37 111.373 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.814 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -117.01 104.43 11.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.488 -0.778 . . . . 0.7 109.071 169.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.579 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.5 mm -88.43 99.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.735 -0.469 . . . . 0.41 109.735 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.72 152.37 47.48 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.334 -0.936 . . . . 0.37 111.703 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 83.2 mttt -63.93 162.2 14.27 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.988 0.899 . . . . 1.16 111.631 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 11.4 m -115.4 170.73 5.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-N 113.939 -1.482 . . . . 1.48 111.754 -174.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 69' ' ' SER . 1.6 m-20 -58.56 150.27 23.39 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.197 -1.365 . . . . 4.14 110.023 170.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.8 2.35 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.594 -0.73 . . . . 4.61 112.66 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 67' ' ' ASP . 8.0 p -57.15 4.8 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.108 0.963 . . . . 4.68 113.132 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.05 -1.25 2.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.564 0.697 . . . . 6.99 109.517 167.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 69' ' ' SER . 52.9 tttt -50.12 161.35 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.06 -1.427 . . . . 8.2 112.016 175.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -55.96 169.78 0.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.988 -1.005 . . . . 10.67 112.321 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 10.7 mtmp? -66.31 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 8.97 111.829 -171.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 36.4 t70 -84.2 170.99 13.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.042 -0.981 . . . . 8.74 110.96 -175.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -63.86 -28.29 69.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.561 0.22 . . . . 11.37 111.14 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -93.83 15.63 16.12 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.787 0.803 . . . . 11.2 108.904 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.558 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 87.32 -61.25 4.25 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 114.451 -1.25 . . . . 8.81 110.092 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 80' ' ' VAL . 3.4 m120 45.13 -56.88 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.871 1.434 . . . . 8.6 114.871 -169.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 60.09 81.95 0.17 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.87 -0.789 . . . . 8.38 108.87 -171.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 2.1 m -111.24 144.57 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.475 0.655 . . . . 5.39 111.367 -172.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -120.46 124.62 27.57 Favored Pre-proline 0 C--N 1.314 -0.946 0 N-CA-C 107.965 -1.124 . . . . 4.27 107.965 168.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.79 125.62 14.04 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.928 1.752 . . . . 2.92 112.134 -173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 30.9 mmmt -71.16 117.77 59.64 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.826 -0.625 . . . . 4.42 111.401 -177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 22.4 Cg_exo -70.73 144.43 48.87 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 124.518 3.479 . . . . 0.94 113.392 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -90.41 114.93 27.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.006 -0.739 . . . . 2.01 109.006 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 22.8 ptt180 -125.11 160.91 27.98 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.434 0.635 . . . . 2.24 112.231 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.1 m-70 -114.91 151.23 34.38 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.916 -1.038 . . . . 0.6 108.897 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.43 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 32.3 ttm -133.26 130.93 39.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.251 -0.579 . . . . 0.73 111.557 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.0 m-85 -123.03 132.18 54.02 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.602 -0.726 . . . . 0.94 111.244 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.58 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.7 m -99.53 122.11 42.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.01 -0.541 . . . . 1.3 111.157 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.86 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 91.3 m-85 -112.4 178.87 4.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.382 -0.599 . . . . 0.32 109.382 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.708 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 25.2 p-10 -142.66 36.65 1.46 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 1.17 110.215 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.4 t-20 -152.83 128.12 9.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.317 -0.856 . . . . 1.62 109.422 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -71.96 -35.5 69.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 3.68 111.57 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.487 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 59.9 m -59.67 -51.04 71.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.864 0.364 . . . . 0.5 110.39 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 91' ' ' PHE . 46.5 t -52.7 -54.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.621 -0.718 . . . . 0.27 110.617 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 6.5 mtp -45.79 -56.8 4.88 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 112.424 0.527 . . . . 0.84 112.424 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.635 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 17.0 t70 -64.12 -39.17 93.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.369 -0.378 . . . . 0.67 111.219 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.68 -50.08 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.55 110.942 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.8 ' O ' HD13 ' A' ' 104' ' ' LEU . 51.4 mm -61.69 -41.23 89.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.569 -0.53 . . . . 0.22 109.569 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.635 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 30.7 mtmt -50.54 -60.06 3.4 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.508 0.67 . . . . 0.92 110.168 173.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.5 mtm -59.6 -50.15 74.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.43 -1.259 . . . . 1.41 112.422 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 88.8 m -54.16 -48.76 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.27 111.384 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.8 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.1 mp -70.92 -51.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.085 -0.709 . . . . 1.03 109.085 -176.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -50.46 -50.83 51.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.636 -1.165 . . . . 1.72 111.88 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.1 mm-40 -66.43 -49.89 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.328 0.492 . . . . 2.21 112.328 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 25' ' ' ALA . 46.4 mt -62.44 -43.69 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.594 -0.442 . . . . 0.39 110.307 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' O ' ' HD2' ' A' ' 112' ' ' LYS . 44.6 mt -53.42 -49.27 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.809 -0.632 . . . . 0.4 110.185 173.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 67.6 m -69.76 -21.81 63.41 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.669 -0.696 . . . . 1.32 112.032 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 93.8 mtt180 -68.18 -24.4 64.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.021 0.438 . . . . 2.87 110.169 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -87.7 -15.83 36.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 2.75 109.907 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.8 mttp -89.45 -51.86 5.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.195 -0.911 . . . . 1.63 111.052 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -75.27 -35.61 61.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.804 0.812 . . . . 1.6 109.52 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 110' ' ' ARG . . . 63.25 31.28 15.56 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 113.693 -1.594 . . . . 1.33 112.182 171.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.716 -0.659 . . . . 2.23 109.863 177.556 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.561 0.219 . . . . 3.79 110.654 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.6 p -84.53 -44.81 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 2.78 111.373 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -56.59 -29.75 62.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.392 0.615 . . . . 3.58 110.307 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 3.5 m-20 -64.23 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.026 -0.988 . . . . 2.67 110.561 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.62 -26.17 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 2.16 110.865 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.734 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 18.2 m-85 -63.49 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 1.84 111.698 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -82.29 -15.04 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 2.39 110.107 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 6.7 mmpt? -80.94 -48.21 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 2.91 110.81 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.734 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 33.0 p-90 -68.94 -25.75 64.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.588 -0.445 . . . . 1.06 110.871 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.43 ' HZ3' ' SD ' ' A' ' 88' ' ' MET . 0.9 OUTLIER -65.62 -40.37 92.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 1.02 109.879 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -79.64 -35.09 39.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.72 -0.673 . . . . 3.37 110.456 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -60.89 -43.96 97.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 1.9 110.298 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -67.84 -29.64 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 2.32 110.386 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.08 -40.13 53.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 3.14 110.29 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.35 -21.33 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.58 110.93 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -66.19 -46.02 78.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 3.65 110.216 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -73.76 -36.64 65.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 3.22 110.158 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.8 ttt -83.98 72.09 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.313 0.577 . . . . 4.43 109.943 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.724 -1.042 . . . . 6.18 112.102 -178.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.479 0.62 0 N-CA-C 111.024 -0.414 . . . . 3.6 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.423 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 78.1 p 58.83 176.3 0.07 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.068 0.947 . . . . 1.99 112.655 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 103' ' ' THR . 47.8 m80 70.65 -44.57 0.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.201 1.185 . . . . 0.61 114.201 174.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 7.9 p -140.07 157.48 45.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.83 1.048 . . . . 0.28 113.83 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . 174.04 154.93 11.26 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 113.588 -1.642 . . . . 0.15 110.112 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.27 116.77 8.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.322 0.582 . . . . 0.19 112.087 -172.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.49 173.22 7.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.16 110.157 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.7 mp -131.99 135.68 58.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.052 -0.522 . . . . 0.36 109.899 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.634 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 44.8 t80 -149.21 131.89 15.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.815 -0.809 . . . . 0.39 108.815 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.6 mt-10 64.24 32.3 12.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.557 0.694 . . . . 1.33 110.398 -176.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 65.09 3.22 2.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.564 -1.198 . . . . 2.23 112.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -103.64 148.66 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 15.4 t -98.51 154.0 18.21 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.32 0.581 . . . . 1.29 111.96 -174.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.521 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.12 -148.14 6.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.906 -1.043 . . . . 0.17 111.791 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.58 145.09 31.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.615 -0.513 . . . . 0.18 109.615 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.36 132.92 45.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.888 -1.523 . . . . 0.17 106.888 170.054 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.86 5.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.187 0.44 . . . . 0.15 112.187 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.706 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.9 mp -92.61 131.04 40.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.884 0.373 . . . . 0.23 110.131 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -119.24 129.26 54.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.852 -0.613 . . . . 1.36 110.757 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 13.8 mt-10 -120.27 72.71 0.95 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.753 -1.203 . . . . 1.47 107.753 167.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -112.91 -23.3 10.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.982 1.372 . . . . 3.67 108.553 164.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.16 -169.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 112.08 -2.327 . . . . 0.9 111.568 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 49.9 p -73.04 168.56 23.62 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 105.419 -2.067 . . . . 1.23 105.419 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.652 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 77.1 Cg_exo -33.29 125.64 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.594 2.196 . . . . 0.56 113.912 -146.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.28 130.01 0.36 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 125.527 1.767 . . . . 0.27 112.307 -169.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.43 145.05 42.34 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.859 -0.737 . . . . 0.69 110.085 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.56 129.72 50.83 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.718 -1.128 . . . . 0.59 108.876 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -120.62 107.87 13.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 120.845 -0.342 . . . . 0.22 110.768 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 87.4 t90 -89.35 114.96 26.44 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 119.115 -1.034 . . . . 0.22 108.27 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.946 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.1 ptt180 -124.46 122.74 38.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.392 -0.822 . . . . 1.93 110.284 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.521 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.6 p -58.23 154.0 14.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.85 -1.068 . . . . 0.27 111.342 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -52.11 -39.35 59.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.97 111.378 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -67.15 -26.48 66.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 2.57 111.585 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.08 3.59 63.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 1.07 112.042 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.12 -62.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 2.64 110.721 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.0 mttt -80.27 128.77 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.834 -0.621 . . . . 1.2 111.468 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.8 t -139.43 117.49 11.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.897 -0.779 . . . . 0.83 108.897 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -121.25 116.07 24.19 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.009 -0.737 . . . . 0.33 109.009 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.47 119.6 39.97 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.643 0.735 . . . . 0.32 111.845 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -106.83 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.787 -1.097 . . . . 0.23 110.362 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -68.62 116.84 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.359 -0.978 . . . . 0.63 108.359 171.688 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.037 -0.983 . . . . 1.24 112.563 -168.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.652 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 44.9 t -52.6 -23.42 6.42 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.636 0.255 . . . . 1.08 111.672 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -88.25 -2.53 58.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.216 0.531 . . . . 0.36 110.86 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 10.2 mm -100.77 145.16 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.032 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.598 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 14.7 t70 -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.7 110.114 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 63' ' ' ILE . 4.2 tmtp? -135.38 174.95 10.04 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.288 0.566 . . . . 1.56 110.22 -175.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.598 HD22 HD12 ' A' ' 108' ' ' ILE . 2.4 pt? -142.81 154.06 43.83 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 1.37 108.479 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.1 mt-30 -135.38 145.69 47.6 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.93 -0.308 . . . . 2.28 110.27 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 101' ' ' LYS . . . -135.19 145.83 48.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.43 110.735 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 p -77.58 153.21 81.18 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.55 112.519 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.88 139.05 69.74 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.012 3.142 . . . . 1.1 113.292 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.601 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -73.57 -20.2 60.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.901 -0.591 . . . . 1.58 110.095 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -73.54 -12.22 60.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.096 -0.956 . . . . 1.55 110.553 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.9 t -102.4 166.89 10.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.727 -0.669 . . . . 1.32 109.645 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.43 -39.08 33.19 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.956 0.408 . . . . 2.37 110.17 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.07 118.48 8.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.564 -0.743 . . . . 2.29 111.871 -167.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.581 ' SD ' ' HD2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -98.57 113.01 24.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.852 -0.613 . . . . 1.13 110.04 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 tpp -139.44 145.55 38.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 0.63 110.872 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -126.19 143.62 51.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.48 109.844 168.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 69.7 mtt180 -112.27 148.44 34.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.474 -0.785 . . . . 2.37 111.327 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -111.6 103.34 11.65 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.743 -1.117 . . . . 0.7 108.873 172.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.624 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.0 mm -87.73 98.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.589 -0.522 . . . . 0.41 109.589 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.64 149.7 49.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.943 -0.646 . . . . 0.37 112.239 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -66.2 161.02 22.95 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 122.445 1.117 . . . . 1.16 112.384 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.44 135.42 56.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 113.307 -1.77 . . . . 1.48 109.426 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.37 132.65 38.65 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.469 -0.567 . . . . 4.14 109.469 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.63 -15.8 63.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 4.61 110.9 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 p -82.38 -23.42 34.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.127 0.489 . . . . 4.68 110.507 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -87.07 -5.93 58.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.607 -0.724 . . . . 6.99 110.006 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.78 153.05 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.995 -1.002 . . . . 8.2 111.414 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -126.66 157.9 37.76 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.356 -0.838 . . . . 10.67 111.636 -173.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -118.59 149.81 40.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.041 -0.981 . . . . 8.97 108.77 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.8 -172.77 2.36 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.746 -0.835 . . . . 8.74 108.746 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -60.67 -30.24 69.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.638 0.654 . . . . 11.37 112.058 -171.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -92.58 12.93 21.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.618 0.247 . . . . 11.2 111.427 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.25 39.19 97.38 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 121.28 -0.486 . . . . 8.81 112.21 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -60.46 -32.23 71.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.799 0.666 . . . . 8.6 112.799 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.95 76.72 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.36 0.6 . . . . 8.38 109.488 -175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.8 145.49 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.469 -0.787 . . . . 5.39 110.596 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.75 128.26 82.15 Favored Pre-proline 0 N--CA 1.444 -0.748 0 N-CA-C 109.425 -0.583 . . . . 4.27 109.425 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.71 150.97 57.28 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.401 2.067 . . . . 2.92 111.226 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 75.4 mmtt -64.11 117.77 39.63 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-O 121.401 0.62 . . . . 4.42 110.443 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 47.6 Cg_exo -59.73 137.02 74.4 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 123.668 2.912 . . . . 0.94 111.98 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.51 115.34 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.612 -0.514 . . . . 2.01 109.612 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.9 ptp180 -113.33 151.91 30.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.744 0.783 . . . . 2.24 112.789 -169.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 60.3 m-70 -107.04 155.32 19.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.86 -1.163 . . . . 0.6 107.86 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.3 ttm -134.09 129.62 36.24 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.631 -0.428 . . . . 0.73 110.609 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 62' ' ' LEU . 7.1 m-85 -124.51 133.36 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.065 0.459 . . . . 0.94 109.774 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.479 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.8 m -92.3 147.79 22.64 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.395 -0.82 . . . . 1.3 109.948 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.815 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 97.3 m-85 -120.06 177.3 5.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.29 0.567 . . . . 0.32 110.183 167.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.48 26.81 5.91 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.086 -0.961 . . . . 1.17 110.433 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -157.69 135.03 10.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.179 -0.464 . . . . 1.62 109.809 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.601 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 14.3 mmm180 -72.39 -35.23 68.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.056 -0.52 . . . . 3.68 111.808 -173.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.1 m -67.3 -48.74 66.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.994 0.426 . . . . 0.5 110.428 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 100' ' ' ILE . 26.0 t -46.81 -57.52 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.274 -0.876 . . . . 0.27 111.95 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.68 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 10.8 ptm -55.07 -51.33 66.69 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.381 -0.528 . . . . 0.84 111.18 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.664 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -56.23 -41.1 75.13 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.606 0.566 . . . . 0.67 111.81 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -50.1 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.009 0.433 . . . . 1.55 110.529 175.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 104' ' ' LEU . 48.5 mm -59.73 -42.87 90.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.732 -0.667 . . . . 0.22 110.173 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HG2' HD11 ' A' ' 60' ' ' LEU . 1.3 mtpt -49.01 -63.11 1.19 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.43 0.633 . . . . 0.92 110.138 175.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.96 -44.29 91.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.552 -1.204 . . . . 1.41 112.076 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' ' 3' ' ' HIS . 62.3 m -54.48 -57.86 9.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.278 0.561 . . . . 0.27 110.87 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -66.33 -50.62 62.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.224 -0.898 . . . . 1.03 109.622 -174.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -43.01 -50.73 5.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.845 -1.071 . . . . 1.72 112.101 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 55.8 mt-30 -71.25 -51.74 22.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.379 -0.343 . . . . 2.21 111.77 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 25' ' ' ALA . 71.2 mt -52.21 -47.91 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.395 0.617 . . . . 0.39 110.072 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.123 HG12 ' OH ' ' A' ' 111' ' ' TYR . 68.7 mt -55.74 -56.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 114.876 -1.056 . . . . 0.4 110.521 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -60.19 -22.61 63.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.77 0.319 . . . . 1.32 111.28 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 85.8 mtt180 -68.55 -43.12 77.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.592 -0.276 . . . . 2.87 110.663 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 1.123 ' OH ' HG12 ' A' ' 108' ' ' ILE . 1.5 p90 -92.72 -14.83 27.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.299 0.571 . . . . 2.75 110.687 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.598 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 20.8 tttm -67.74 -49.46 62.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.991 -1.004 . . . . 1.63 109.581 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.44 -29.93 42.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 1.6 109.72 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.96 17.25 6.31 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.162 -1.381 . . . . 1.33 111.476 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.623 -0.703 . . . . 2.23 109.708 175.532 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.655 0.264 . . . . 3.79 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -67.41 -37.14 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.673 0.62 . . . . 2.78 112.673 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.57 -34.69 71.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.425 0.631 . . . . 3.58 109.924 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.24 -38.0 27.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.235 -0.893 . . . . 2.67 110.261 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.469 ' HA ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 t70 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.079 -0.964 . . . . 2.16 111.235 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.12 -24.35 62.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.416 -0.356 . . . . 1.84 111.885 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -92.9 -39.8 10.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.417 0.627 . . . . 2.39 109.516 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.469 ' HB3' ' HA ' ' B' ' 26' ' ' ASP . 80.2 tttt -64.05 -49.14 73.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.097 -0.956 . . . . 2.91 111.913 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.705 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 3.3 p-90 -66.89 -28.2 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.06 111.207 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.432 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 0.9 OUTLIER -75.24 -45.04 42.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.246 0.546 . . . . 1.02 110.051 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -67.39 -30.44 70.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.559 -0.746 . . . . 3.37 111.838 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.0 p -75.61 -25.78 57.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.869 0.366 . . . . 1.9 110.915 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 14.5 mm-40 -72.86 -45.13 60.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.171 0.51 . . . . 2.32 109.729 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 34.8 mt-10 -64.51 -35.56 81.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 3.14 110.78 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 -29.53 68.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 2.58 110.95 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -73.17 -39.76 65.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.686 -0.487 . . . . 3.65 109.686 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.49 -56.29 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 3.22 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 73.4 mtm -89.77 71.82 7.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.918 0.39 . . . . 4.43 110.249 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.633 -1.093 . . . . 6.18 111.76 -179.603 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.478 0.604 0 N-CA-C 110.774 -0.51 . . . . 3.6 110.774 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -93.79 135.65 34.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.214 -0.448 . . . . 1.99 110.527 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.446 ' HA ' HG21 ' A' ' 103' ' ' THR . 57.8 m80 65.47 -8.09 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.229 0.611 . . . . 0.61 112.642 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 17.5 p -154.45 165.15 37.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.48 0.657 . . . . 0.28 112.176 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.33 149.91 6.64 Favored Glycine 0 N--CA 1.439 -1.155 0 CA-C-N 114.466 -1.243 . . . . 0.15 110.597 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 114.45 5.92 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.306 0.574 . . . . 0.19 111.555 -174.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.28 177.24 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.16 110.049 -176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.5 mp -131.18 136.7 57.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 110.214 -0.291 . . . . 0.36 110.214 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 65.3 t80 -150.23 136.27 18.6 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.729 -0.841 . . . . 0.39 108.729 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.8 mt-10 63.89 31.94 13.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.504 0.669 . . . . 1.33 110.87 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 64.35 5.07 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.616 -1.175 . . . . 2.23 113.12 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -107.0 149.03 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.873 -0.788 . . . . 0.26 108.873 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.622 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 m -92.94 151.0 20.19 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.077 -0.511 . . . . 1.29 111.837 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -167.71 -151.56 7.07 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.714 -0.675 . . . . 0.17 111.804 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.21 146.18 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.15 -0.685 . . . . 0.18 109.15 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.47 130.45 49.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.252 -1.388 . . . . 0.17 107.252 170.237 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.65 111.0 7.03 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.07 0.396 . . . . 0.15 112.07 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 104' ' ' LEU . 3.5 mp -94.6 127.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.004 0.431 . . . . 0.23 110.125 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -116.91 130.86 56.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.653 -0.703 . . . . 1.36 110.359 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -124.56 72.72 1.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.174 -1.047 . . . . 1.47 108.174 168.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -112.93 -21.63 11.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.21 1.481 . . . . 3.67 108.348 165.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 23' ' ' SER . 17.0 m -107.46 -168.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 111.832 -2.44 . . . . 0.9 111.859 -160.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.53 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 44.1 p -72.64 169.27 17.82 Favored Pre-proline 0 C--N 1.314 -0.958 0 N-CA-C 105.686 -1.968 . . . . 1.23 105.686 173.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 50.1 Cg_exo -34.61 126.67 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.607 2.204 . . . . 0.56 113.649 -148.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.18 132.76 1.33 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 125.096 1.498 . . . . 0.27 112.33 -166.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -118.08 146.57 44.01 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.31 0.576 . . . . 0.69 110.286 -174.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -103.53 128.33 50.77 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.059 -0.973 . . . . 0.59 108.841 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.471 ' CG2' HG13 ' A' ' 37' ' ' VAL . 5.0 m -119.25 107.62 13.64 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 120.666 -0.414 . . . . 0.22 110.917 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.2 t90 -88.46 119.13 28.61 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.902 -1.148 . . . . 0.22 107.902 168.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.714 ' CB ' HG22 ' A' ' 37' ' ' VAL . 17.9 ptt180 -129.34 128.17 42.56 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 115.873 -0.603 . . . . 1.93 110.096 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.494 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 79.9 p -62.79 149.4 44.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.446 -0.797 . . . . 0.27 110.549 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' HA2' ' A' ' 14' ' ' GLY . 16.5 p -59.48 -29.1 67.59 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.046 -0.525 . . . . 0.97 111.648 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 1.8 p-10 -71.33 -19.25 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 2.57 111.349 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.81 6.69 69.55 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.957 -0.64 . . . . 1.07 113.117 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 5.9 t70 -88.8 -50.95 5.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.929 0.395 . . . . 2.64 111.101 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.571 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 9.8 mttp -88.61 126.8 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.546 . . . . 1.2 111.571 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.5 t -138.41 125.23 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.738 -0.838 . . . . 0.83 108.738 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 19.2 m-70 -128.4 117.22 21.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.784 -0.451 . . . . 0.33 109.784 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -105.71 116.33 31.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.728 0.775 . . . . 0.32 112.046 -173.439 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -102.01 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.685 -1.143 . . . . 0.23 110.3 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.43 118.11 14.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 175.092 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.2 -17.41 63.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.02 -0.991 . . . . 1.24 113.368 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 20.0 t -71.4 -9.23 57.83 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.045 -0.262 . . . . 1.08 111.193 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 3.14 42.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.059 0.457 . . . . 0.36 110.467 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 36.7 mm -100.05 145.24 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.916 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t70 -103.32 -48.82 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.419 -0.81 . . . . 0.7 111.123 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -136.67 172.81 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 1.56 109.979 -174.603 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 108' ' ' ILE . 1.7 pt? -145.17 150.38 36.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.051 -0.522 . . . . 1.37 109.6 166.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 56.9 mt-30 -126.24 148.14 49.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.991 -0.374 . . . . 2.28 109.991 -177.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.43 134.86 24.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.43 110.198 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 p -67.36 151.99 96.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.55 111.754 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -67.02 145.87 75.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.273 2.649 . . . . 1.1 112.187 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.84 62.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 1.58 111.153 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 p -71.49 -31.79 67.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.274 0.559 . . . . 1.55 110.033 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.48 158.5 28.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.638 -0.71 . . . . 1.32 109.902 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -39.43 35.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 2.37 109.837 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.1 127.63 33.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.073 -0.967 . . . . 2.29 112.09 -171.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.612 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -102.7 113.08 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.244 -0.889 . . . . 1.13 110.431 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.441 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 5.5 tpp -141.12 139.01 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.63 111.498 -174.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD11 ' HG2' ' A' ' 101' ' ' LYS . 2.2 mm? -121.08 154.9 35.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.845 -0.616 . . . . 0.48 109.609 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 80.6 mtt180 -126.09 150.58 48.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.168 -0.469 . . . . 2.37 111.068 171.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.769 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.1 mm? -111.17 114.46 27.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.354 -0.98 . . . . 0.7 108.354 168.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.607 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -99.11 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.586 -0.524 . . . . 0.41 109.586 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -68.75 156.32 53.4 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.127 -1.035 . . . . 0.37 112.812 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 23.6 mtpt -74.28 147.43 42.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 1.16 111.187 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 24.4 m -115.23 147.08 18.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.003 -0.999 . . . . 1.48 109.034 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.85 115.27 14.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.11 0.481 . . . . 4.14 110.001 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.67 -29.48 64.64 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.594 -0.73 . . . . 4.61 112.357 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -91.59 -27.43 18.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.688 0.625 . . . . 4.68 112.688 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -67.14 -33.7 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.758 -0.377 . . . . 6.99 111.67 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HE2' ' CG2' ' A' ' 80' ' ' VAL . 39.1 tttt -92.75 158.31 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.368 -0.533 . . . . 8.2 110.343 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -130.21 170.3 14.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.159 -0.928 . . . . 10.67 110.235 -174.459 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 9.7 mtmp? -69.28 167.27 16.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.33 0.586 . . . . 8.97 111.233 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 3.3 t70 -104.03 -162.99 0.94 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.418 -0.81 . . . . 8.74 110.916 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -66.19 -32.52 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.297 0.481 . . . . 11.37 112.297 -173.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -104.94 16.06 26.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.521 0.677 . . . . 11.2 109.463 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 89.72 -61.7 3.43 Favored Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 108.457 -1.857 . . . . 8.81 108.457 -171.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 74' ' ' ASP . 16.5 m120 54.9 -38.87 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.74 1.756 . . . . 8.6 115.74 177.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 11.9 pt-20 44.42 59.6 3.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.149 0.976 . . . . 8.38 110.548 -172.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' HE2' ' A' ' 71' ' ' LYS . 1.8 m -77.14 148.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.961 -1.018 . . . . 5.39 109.728 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.88 129.97 23.41 Favored Pre-proline 0 C--N 1.31 -1.134 0 N-CA-C 109.466 -0.568 . . . . 4.27 109.466 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.42 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 34.3 Cg_endo -67.01 132.35 27.87 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.189 1.926 . . . . 2.92 110.987 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 44.3 mmtm -60.81 118.57 36.32 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.479 0.657 . . . . 4.42 111.046 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.581 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 32.2 Cg_exo -63.34 137.46 60.66 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 123.828 3.019 . . . . 0.94 111.782 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.9 115.01 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.164 -0.68 . . . . 2.01 109.164 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HG2' HD13 ' A' ' 63' ' ' ILE . 97.3 mtt180 -103.27 162.99 12.53 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.859 0.838 . . . . 2.24 112.551 -174.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 39.7 m80 -136.05 127.61 28.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.927 -1.488 . . . . 0.6 108.103 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.0 ttm -118.54 136.98 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.044 -0.662 . . . . 0.73 111.628 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' HD23 ' A' ' 62' ' ' LEU . 3.2 m-85 -128.7 129.96 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.316 -0.856 . . . . 0.94 111.606 -175.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 14.4 t -100.44 129.21 46.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 1.3 110.012 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.5 m-85 -109.69 179.77 4.03 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.463 -0.569 . . . . 0.32 109.463 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -120.2 20.88 11.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.87 -0.605 . . . . 1.17 111.252 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.641 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.3 t-20 -166.92 138.34 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.597 0.237 . . . . 1.62 110.54 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.0 OUTLIER -80.03 -24.1 41.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.981 0.363 . . . . 3.68 111.981 -176.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.641 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 19.2 m -64.56 -44.57 90.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.357 -0.609 . . . . 0.5 109.357 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 91' ' ' PHE . 54.3 t -51.78 -53.18 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 115.716 -0.674 . . . . 0.27 109.985 169.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.612 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.1 mtp -43.5 -64.99 0.55 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.603 0.565 . . . . 0.84 112.297 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' LYS . 38.9 t70 -55.29 -35.33 64.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.734 0.302 . . . . 0.67 111.615 -174.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -69.36 -57.4 5.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 1.55 110.902 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.784 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.3 mm -56.44 -46.01 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.012 -0.366 . . . . 0.22 110.012 176.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HG2' HD11 ' A' ' 60' ' ' LEU . 39.0 mtpt -47.08 -63.75 0.96 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.432 0.634 . . . . 0.92 110.685 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.5 mtm -58.43 -49.82 75.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.6 -1.182 . . . . 1.41 112.01 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 3' ' ' HIS . 93.8 m -49.84 -52.11 34.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.144 0.497 . . . . 0.27 111.106 -178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -70.88 -53.38 15.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.507 -0.77 . . . . 1.03 109.683 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -49.4 -48.87 46.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.43 -0.805 . . . . 1.72 111.978 -176.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 56.3 mt-30 -64.15 -45.99 86.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.782 -0.19 . . . . 2.21 111.313 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.3 mt -65.21 -42.98 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.76 0.314 . . . . 0.39 110.374 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 48' ' ' LEU . 96.4 mt -57.58 -44.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.4 109.889 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 32.2 t -59.84 -34.33 72.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.756 -0.656 . . . . 1.32 110.725 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.7 mtt180 -60.8 -38.36 85.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 2.87 110.864 177.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.499 ' CE2' HG22 ' A' ' 107' ' ' ILE . 23.1 m-85 -86.97 -16.55 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.257 0.551 . . . . 2.75 110.123 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 37.2 mttm -70.97 -43.4 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.47 -0.786 . . . . 1.63 110.316 173.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -81.78 -33.98 30.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.809 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.54 18.52 8.89 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.309 -1.314 . . . . 1.33 112.074 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.575 -0.726 . . . . 2.23 110.112 178.048 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 111.388 0.144 . . . . 3.79 111.388 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -74.37 -55.68 5.72 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 111.926 0.343 . . . . 2.78 111.926 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -69.27 -27.63 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.783 -0.451 . . . . 3.58 109.783 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.97 -42.37 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.564 -0.744 . . . . 2.67 109.958 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HD1' ' B' ' 30' ' ' TRP . 18.8 t70 -65.83 -36.08 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.377 -0.829 . . . . 2.16 110.346 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.736 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 21.8 m-85 -64.32 -23.35 67.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.881 -0.599 . . . . 1.84 111.909 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -85.01 -28.92 25.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.837 0.351 . . . . 2.39 110.206 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -74.94 -48.0 26.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.167 -0.469 . . . . 2.91 111.599 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.736 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 23.6 p-90 -73.38 -16.26 61.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.124 0.487 . . . . 1.06 110.407 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.484 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.8 t-105 -87.36 -48.77 7.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.748 -0.66 . . . . 1.02 110.63 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.06 -25.97 47.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 3.37 111.094 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.5 p -62.1 -34.68 76.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.312 0.577 . . . . 1.9 109.944 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.11 -34.2 56.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.63 -0.714 . . . . 2.32 110.689 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 44.6 mt-10 -66.9 -42.4 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 3.14 110.653 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -20.28 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 2.58 112.057 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -65.1 -39.55 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.964 0.412 . . . . 3.65 110.672 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -98.48 -48.25 5.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 3.22 110.292 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.7 mmm -89.49 69.01 7.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.794 -0.639 . . . . 4.43 109.966 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 118.126 -1.375 . . . . 6.18 111.287 -179.159 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.491 0 N-CA-C 110.692 -0.542 . . . . 3.6 110.692 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p 55.0 -165.84 0.1 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.829 0.852 . . . . 1.99 112.213 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.492 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.3 m80 76.03 -32.72 0.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.321 0.86 . . . . 0.61 113.321 174.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 35.5 p -141.99 162.93 34.24 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 113.232 0.827 . . . . 0.28 113.232 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.64 152.84 7.34 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.057 -1.429 . . . . 0.15 110.972 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.98 116.97 8.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.324 0.583 . . . . 0.19 112.512 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.781 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.32 176.13 7.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.901 -1.045 . . . . 0.16 110.037 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -131.25 137.25 56.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.555 0.217 . . . . 0.36 110.701 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 42.5 t80 -150.27 132.93 15.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.099 -0.704 . . . . 0.39 109.099 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 55.0 mt-10 63.11 40.68 8.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.126 0.489 . . . . 1.33 111.766 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.7 mptp? 62.68 5.29 1.66 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.94 -1.027 . . . . 2.23 113.416 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -113.68 148.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.375 -0.602 . . . . 0.26 109.375 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 12.7 t -97.2 156.01 16.6 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.791 -0.64 . . . . 1.29 111.519 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.4 -149.27 7.49 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.428 -0.805 . . . . 0.17 112.698 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -122.04 143.08 35.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.622 -0.51 . . . . 0.18 109.622 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.624 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.11 134.11 40.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 107.235 -1.395 . . . . 0.17 107.235 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.92 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.888 0.375 . . . . 0.15 111.752 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -87.27 122.29 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.23 109.829 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -110.72 128.86 55.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 1.36 110.95 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -122.97 72.32 1.09 Allowed 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 107.736 -1.209 . . . . 1.47 107.736 167.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -111.34 -23.4 10.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.076 1.417 . . . . 3.67 108.335 167.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 m -107.66 -169.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 112.075 -2.329 . . . . 0.9 111.745 -163.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.78 170.66 13.43 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 104.823 -2.288 . . . . 1.23 104.823 172.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -31.88 126.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.919 2.413 . . . . 0.56 114.09 -147.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.4 139.22 0.79 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 113.381 -1.736 . . . . 0.27 112.349 -166.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.2 mt-10 -114.09 151.47 32.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.111 -0.495 . . . . 0.69 110.036 -176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -104.44 128.41 52.33 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.88 -1.156 . . . . 0.59 107.88 170.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -124.04 107.72 11.6 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.126 -0.488 . . . . 0.22 110.661 -172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.9 t90 -92.15 124.24 36.09 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.948 -0.76 . . . . 0.22 108.948 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.778 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.0 ptt180 -128.1 123.64 35.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.545 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 62.1 p -58.66 143.19 47.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.451 0.643 . . . . 0.27 111.267 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.489 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 5.8 t -78.64 -7.49 57.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.642 1.21 . . . . 0.97 107.783 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 21.28 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.219 -1.809 . . . . 2.57 112.9 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 23.91 5.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.847 -1.168 . . . . 1.07 113.776 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 t70 71.9 66.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.036 0.922 . . . . 2.64 112.76 165.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.778 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 33.3 tttp -90.43 118.06 29.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.586 -1.264 . . . . 1.2 107.586 165.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' HB3' ' A' ' 30' ' ' ARG . 16.4 t -112.85 130.3 66.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 121.315 0.579 . . . . 0.83 111.735 -167.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.681 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.7 m-70 -131.95 121.35 23.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.331 -0.988 . . . . 0.33 108.331 175.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 26' ' ' GLU . 1.5 m -111.23 134.8 52.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.286 0.565 . . . . 0.32 111.718 -170.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 38.8 t -122.34 104.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.23 111.079 -175.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.53 115.72 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.253 -0.647 . . . . 0.63 109.253 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 104' ' ' LEU . 30.3 mt -65.25 -21.27 66.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.89 1.07 . . . . 1.24 113.89 -169.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 p -67.69 -18.28 64.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.08 111.012 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -97.56 8.97 43.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.36 110.332 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.6 mm -104.45 138.47 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.36 110.139 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -98.94 -45.64 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.002 0.43 . . . . 0.7 110.834 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.661 ' HB3' HG13 ' A' ' 63' ' ' ILE . 6.1 mmtt -133.78 175.34 9.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.403 0.621 . . . . 1.56 110.547 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 134.39 21.79 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.077 -0.965 . . . . 1.37 109.36 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 51.7 mt-30 -123.78 139.82 53.6 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.85 -0.614 . . . . 2.28 110.453 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 101' ' ' LYS . . . -138.98 154.41 48.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.449 -0.341 . . . . 0.43 110.463 -177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 p -72.0 134.03 83.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.55 111.743 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.15 153.98 48.88 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.271 2.647 . . . . 1.1 112.315 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.597 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -70.02 -15.48 63.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.775 -0.648 . . . . 1.58 111.83 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 p -79.75 -9.29 59.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.51 . . . . 1.55 111.055 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.3 t -112.35 134.51 53.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.402 -0.592 . . . . 1.32 109.402 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -43.97 96.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.073 -0.512 . . . . 2.37 111.43 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -60.63 143.0 54.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 2.29 111.164 -170.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 23.2 mtm -118.67 112.98 20.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.698 . . . . 1.13 110.951 -171.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.404 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 4.4 tpp -140.91 142.28 34.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.593 -0.731 . . . . 0.63 111.214 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -123.93 143.57 50.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.695 -0.684 . . . . 0.48 109.427 168.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 60.4 mtt180 -119.98 146.05 46.21 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.639 -0.71 . . . . 2.37 110.965 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -109.65 107.51 17.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.452 -1.249 . . . . 0.7 108.083 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.8 mm -88.89 99.19 8.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 108.733 -0.84 . . . . 0.41 108.733 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.27 152.29 52.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.234 -0.984 . . . . 0.37 112.953 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -72.55 154.1 40.97 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.729 0.776 . . . . 1.16 112.022 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 11.4 m -118.54 138.08 50.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 114.27 -1.332 . . . . 1.48 110.676 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -92.04 78.26 5.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.009 0.909 . . . . 4.14 108.829 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -77.15 -27.04 53.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.981 -1.008 . . . . 4.61 110.777 -173.24 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 p -83.67 -5.89 59.3 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.17 -0.923 . . . . 4.68 110.977 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -110.73 -21.09 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 6.99 111.025 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.74 159.32 30.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.561 0.696 . . . . 8.2 111.152 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -130.87 167.96 18.08 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.702 -1.135 . . . . 10.67 111.03 -171.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.87 150.76 32.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.861 -0.609 . . . . 8.97 110.745 176.512 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.59 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 5.8 t70 -94.72 -158.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.838 -0.619 . . . . 8.74 110.714 -174.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.25 -32.58 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.79 1.033 . . . . 11.37 113.79 -168.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.52 ' HG2' ' OD1' ' A' ' 78' ' ' ASN . 11.4 pt-20 -109.28 21.33 17.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 11.2 111.069 -174.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.18 29.63 75.3 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.022 -0.831 . . . . 8.81 111.022 -174.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' HB3' ' A' ' 74' ' ' ASP . 12.3 m120 -40.01 -46.98 2.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.158 -1.021 . . . . 8.6 112.841 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 73' ' ' LYS . 48.0 mt-10 55.73 72.35 0.49 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.216 0.531 . . . . 8.38 109.735 -174.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.54 136.46 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.877 -0.601 . . . . 5.39 111.392 -172.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.43 125.65 59.12 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 109.084 -0.71 . . . . 4.27 109.084 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.493 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 36.9 Cg_endo -66.91 131.58 25.95 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.365 2.043 . . . . 2.92 112.908 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 99.6 mttt -87.27 127.22 59.81 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.417 -0.81 . . . . 4.42 109.807 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 65.0 Cg_exo -54.33 131.63 46.23 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.75 2.967 . . . . 0.94 112.618 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.51 115.68 20.93 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.841 -0.618 . . . . 2.01 109.426 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 63' ' ' ILE . 49.8 mtt85 -97.36 150.36 21.07 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.846 0.831 . . . . 2.24 112.205 -175.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 55.7 m-70 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 113.985 -1.461 . . . . 0.6 108.15 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.8 ttm -116.39 130.08 56.58 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.211 -0.595 . . . . 0.73 111.349 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -125.22 138.75 54.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.94 110.143 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 5.2 t -110.65 134.23 52.62 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.42 -0.355 . . . . 1.3 110.963 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.781 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 53.1 m-85 -113.84 177.28 4.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.168 0.509 . . . . 0.32 109.802 173.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -134.72 21.65 3.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.52 -0.764 . . . . 1.17 110.278 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -140.46 125.01 17.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.753 -0.832 . . . . 1.62 108.753 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.597 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 10.6 tpt180 -70.61 -39.32 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 3.68 111.469 -168.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.5 m -61.51 -46.5 89.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.335 -0.393 . . . . 0.5 110.234 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.2 t -47.73 -60.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.27 111.55 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.693 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptm -58.83 -48.71 80.37 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.359 -0.536 . . . . 0.84 111.538 -174.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.693 ' N ' ' HG3' ' A' ' 97' ' ' MET . 35.3 t70 -59.18 -36.65 75.71 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.837 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.28 -49.17 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 1.55 110.321 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 96' ' ' VAL . 46.2 mm -54.94 -44.29 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.255 0.55 . . . . 0.22 109.61 172.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.679 ' HG3' HD11 ' A' ' 60' ' ' LEU . 19.5 ttmt -47.34 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.527 -1.215 . . . . 0.92 110.34 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -58.49 -47.65 83.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.505 -1.225 . . . . 1.41 111.76 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 3' ' ' HIS . 99.4 m -49.75 -50.97 42.36 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.531 0.52 . . . . 0.27 110.948 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 27' ' ' LEU . 40.5 mt -69.55 -55.75 9.27 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.804 -0.634 . . . . 1.03 111.035 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -50.49 -46.98 57.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.635 -1.166 . . . . 1.72 111.86 -176.45 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 82.7 mm-40 -68.92 -42.54 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 2.21 111.777 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.636 HG21 ' HB3' ' A' ' 25' ' ' ALA . 73.1 mt -62.98 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.735 -0.386 . . . . 0.39 110.038 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.16 -47.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.4 110.148 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.1 t -63.07 -31.69 72.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.644 -0.707 . . . . 1.32 110.986 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -63.3 -37.35 86.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.929 0.395 . . . . 2.87 110.725 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.8 m-85 -85.59 -15.63 41.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 2.75 110.02 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -76.35 -45.48 31.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.626 -0.715 . . . . 1.63 110.881 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.79 -39.54 56.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.285 0.564 . . . . 1.6 110.18 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.32 24.08 4.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 114.357 -1.292 . . . . 1.33 113.193 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.499 -0.762 . . . . 2.23 110.587 -178.393 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.565 0.221 . . . . 3.79 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.4 p -68.41 -53.22 25.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.534 -0.303 . . . . 2.78 111.626 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -66.08 -27.68 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.284 0.564 . . . . 3.58 110.331 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.53 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 20.5 m-20 -72.1 -28.28 63.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.503 -0.771 . . . . 2.67 110.22 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.74 -39.3 93.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.545 . . . . 2.16 109.716 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.794 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 61.6 m-85 -65.55 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.745 -0.661 . . . . 1.84 112.246 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -78.79 -26.63 44.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.267 -0.573 . . . . 2.39 110.833 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -86.94 -45.48 10.77 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.828 -0.349 . . . . 2.91 111.781 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.794 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 12.5 p-90 -65.53 -30.7 71.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.365 -0.534 . . . . 1.06 110.154 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 2.2 t-105 -61.18 -46.1 91.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.229 0.537 . . . . 1.02 109.676 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -73.64 -41.46 62.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.535 -0.757 . . . . 3.37 110.934 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' B' ' 30' ' ' TRP . 29.1 p -67.73 -34.61 77.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.786 0.327 . . . . 1.9 110.925 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.52 -45.45 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.971 0.415 . . . . 2.32 110.007 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.28 -35.02 78.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.8 -0.636 . . . . 3.14 111.583 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.19 -31.59 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.476 -0.329 . . . . 2.58 111.427 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.41 -30.13 61.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.033 -0.53 . . . . 3.65 110.773 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -83.0 -51.74 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 3.22 110.587 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.17 82.57 0.17 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.734 0.647 . . . . 4.43 110.485 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.202 0 CA-C-O 118.628 -1.096 . . . . 6.18 111.457 178.036 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.478 0.578 0 N-CA-C 110.547 -0.597 . . . . 3.6 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -175.4 171.58 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.55 -0.537 . . . . 1.99 109.55 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.636 ' HA ' HG21 ' A' ' 103' ' ' THR . 71.0 m80 70.92 -23.57 0.17 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 113.652 0.982 . . . . 0.61 113.652 173.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 10.7 p -148.92 160.14 43.54 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.051 0.76 . . . . 0.28 113.051 -174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.49 153.44 9.66 Favored Glycine 0 N--CA 1.441 -1.012 0 CA-C-N 114.0 -1.454 . . . . 0.15 110.27 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.38 115.0 6.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.289 0.566 . . . . 0.19 111.95 -173.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.776 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.97 175.5 6.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.16 110.181 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.2 138.71 52.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.306 . . . . 0.36 110.175 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.9 t80 -148.83 127.13 12.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.198 -0.667 . . . . 0.39 109.198 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.0 mt-10 67.49 40.7 2.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.219 0.533 . . . . 1.33 110.91 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.79 -7.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.727 -1.124 . . . . 2.23 113.407 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -98.91 146.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.26 109.599 175.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 25.3 t -97.24 156.82 16.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.399 -0.818 . . . . 1.29 111.691 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.47 -145.07 5.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 114.74 -1.118 . . . . 0.17 111.475 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.26 145.16 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.952 -0.388 . . . . 0.18 109.952 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.1 132.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.243 -1.392 . . . . 0.17 107.243 170.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.52 111.16 6.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.811 0.339 . . . . 0.15 111.709 -171.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -89.99 124.25 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.367 0.603 . . . . 0.23 110.581 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -106.89 125.98 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.86 -1.064 . . . . 1.36 110.626 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 31.9 mt-10 -124.22 73.52 1.24 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.818 -0.753 . . . . 1.47 108.992 168.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -112.73 -22.69 10.59 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 122.984 1.374 . . . . 3.67 108.436 162.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 -170.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 112.104 -2.316 . . . . 0.9 111.871 -160.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 27.4 p -74.22 170.62 14.01 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 105.773 -1.936 . . . . 1.23 105.773 173.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -33.73 126.49 0.16 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.715 2.277 . . . . 0.56 113.848 -145.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.67 133.16 2.07 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.864 -1.516 . . . . 0.27 112.105 -166.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.92 149.22 39.06 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-O 121.339 0.59 . . . . 0.69 110.361 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 18' ' ' ILE . 1.2 tt -103.1 129.38 49.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.12 -0.945 . . . . 0.59 108.886 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -122.0 107.41 12.2 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 116.199 -0.455 . . . . 0.22 111.019 -171.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 83.1 t90 -91.85 124.49 36.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.818 -0.753 . . . . 0.22 108.979 172.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.825 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -128.45 133.95 48.64 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.602 -0.726 . . . . 1.93 109.776 176.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 94.5 p -62.2 164.05 7.45 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.557 0.536 . . . . 0.27 110.966 -175.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -57.31 -32.66 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.982 0.42 . . . . 0.97 111.119 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.52 -30.52 70.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 2.57 110.584 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.69 2.1 58.66 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.783 -0.644 . . . . 1.07 112.53 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -86.87 -55.86 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.717 0.294 . . . . 2.64 111.766 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.756 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 18.4 tttt -72.38 118.63 15.52 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.621 -0.511 . . . . 1.2 109.621 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.825 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 t -132.16 132.55 60.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.771 -0.649 . . . . 0.83 109.439 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 4.4 m80 -132.53 121.17 22.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.736 -0.838 . . . . 0.33 108.736 177.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 119.37 38.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.576 0.703 . . . . 0.32 112.14 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 t -106.59 102.16 13.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.693 -1.139 . . . . 0.23 110.714 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.92 118.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 0.63 109.413 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.64 -14.32 57.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.717 -1.129 . . . . 1.24 113.137 -169.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.572 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 23.1 t -66.13 -23.42 66.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.945 0.402 . . . . 1.08 110.95 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -93.01 -3.42 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.691 . . . . 0.36 110.042 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.4 mm -94.74 136.87 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.966 -1.015 . . . . 0.36 110.186 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -92.66 -50.06 5.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.926 -0.398 . . . . 0.7 109.926 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 63' ' ' ILE . 47.4 tptt -134.32 167.78 20.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.426 0.631 . . . . 1.56 110.593 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -143.26 152.61 41.9 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.439 -0.948 . . . . 1.37 108.439 166.574 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -155.67 148.8 24.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.739 -0.664 . . . . 2.28 110.277 -170.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' HB1' ' CE ' ' A' ' 97' ' ' MET . . . -111.9 167.57 10.27 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.475 -0.33 . . . . 0.43 110.322 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.4 p -59.44 151.13 61.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.55 111.53 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.529 ' HG2' ' OG ' ' A' ' 55' ' ' SER . 7.9 Cg_endo -53.84 148.27 38.11 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.565 . . . . 1.1 111.907 174.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.33 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.624 . . . . 1.58 111.681 -175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 p -78.12 -20.95 51.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.25 -0.432 . . . . 1.55 111.045 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.529 ' OG ' ' HG2' ' A' ' 52' ' ' PRO . 50.6 m -83.36 150.48 26.07 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.991 -0.55 . . . . 1.32 111.453 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 37.7 tt0 -88.98 -37.4 15.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.495 -0.775 . . . . 2.37 110.924 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -67.26 138.97 57.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.31 0.576 . . . . 2.29 111.035 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.606 ' HB3' ' SD ' ' A' ' 97' ' ' MET . 1.3 mpt? -103.04 124.67 48.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.621 -0.718 . . . . 1.13 110.711 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -153.39 139.76 18.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.733 -0.667 . . . . 0.63 111.289 -176.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -112.75 142.44 45.38 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.466 -0.568 . . . . 0.48 109.466 168.429 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 65.4 mtm180 -105.34 144.55 31.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.74 -0.664 . . . . 2.37 111.492 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.3 mm? -113.12 103.66 11.58 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.715 -1.13 . . . . 0.7 109.138 170.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.98 100.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 110.133 -0.321 . . . . 0.41 110.133 -175.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.62 150.67 45.21 Favored Glycine 0 C--N 1.319 -0.388 0 C-N-CA 120.206 -0.997 . . . . 0.37 111.955 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -65.39 157.97 27.87 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.98 0.895 . . . . 1.16 111.87 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 27.3 m -118.9 135.83 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 CA-C-N 114.27 -1.332 . . . . 1.48 110.616 175.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -103.19 111.21 23.47 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.693 -0.855 . . . . 4.14 108.693 170.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -69.63 -25.61 64.02 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.382 -0.372 . . . . 4.61 111.868 -173.06 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 p -91.94 -40.03 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.683 0.623 . . . . 4.68 112.683 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -88.26 -30.49 19.62 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.07 0.396 . . . . 6.99 112.07 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -72.98 160.76 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.476 0.655 . . . . 8.2 112.069 -171.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -56.65 147.55 22.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.258 -1.337 . . . . 10.67 112.891 -173.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -83.96 170.27 14.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.531 -1.213 . . . . 8.97 110.847 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 21.9 t70 -61.36 170.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.28 -0.873 . . . . 8.74 110.395 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -60.6 -26.27 66.86 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.643 0.656 . . . . 11.37 111.42 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.76 13.49 24.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 11.2 110.831 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.88 41.42 82.58 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.949 -0.569 . . . . 8.81 112.903 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 62.2 m-80 -89.1 131.59 35.18 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.846 -0.798 . . . . 8.6 108.846 175.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.57 70.38 0.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.071 0.939 . . . . 8.38 110.67 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -90.25 149.7 3.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.679 -1.146 . . . . 5.39 111.057 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.15 115.9 60.37 Favored Pre-proline 0 N--CA 1.442 -0.864 0 N-CA-C 108.317 -0.994 . . . . 4.27 108.317 168.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.83 144.59 24.61 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.688 2.259 . . . . 2.92 113.005 -168.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 68.1 mttm -61.82 128.38 90.37 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.72 -0.673 . . . . 4.42 109.463 174.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 45.1 Cg_exo -58.54 126.48 21.46 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.261 2.64 . . . . 0.94 112.421 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -76.78 118.38 19.34 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.683 -0.69 . . . . 2.01 109.485 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 4.0 ptt-85 -117.25 157.02 26.75 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.228 -0.896 . . . . 2.24 111.07 -172.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 70.8 m-70 -118.1 134.14 55.26 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.419 -0.956 . . . . 0.6 108.419 -176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.537 ' HG2' ' HG2' ' A' ' 61' ' ' ARG . 54.1 mtt -117.44 124.23 48.32 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.626 -0.429 . . . . 0.73 111.434 -176.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.16 132.59 55.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.94 109.592 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 7.6 t -99.75 132.82 44.85 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 120.932 0.396 . . . . 1.3 111.582 -174.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.776 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 73.9 m-85 -112.74 179.5 3.96 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.799 -0.815 . . . . 0.32 108.799 172.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.603 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 5.6 p30 -131.52 31.28 4.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.256 0.55 . . . . 1.17 110.464 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -157.06 124.98 5.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.243 -0.651 . . . . 1.62 109.243 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' A' ' 56' ' ' GLU . 6.4 mpt_? -68.42 -31.49 70.86 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.292 -0.413 . . . . 3.68 110.649 -176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.6 m -59.45 -53.11 61.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.066 -0.516 . . . . 0.5 110.083 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.07 -48.95 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.756 -0.656 . . . . 0.27 110.734 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.606 ' SD ' ' HB3' ' A' ' 58' ' ' MET . 31.3 mtp -50.28 -48.42 54.99 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.84 111.953 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 24.1 t70 -69.07 -37.3 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.67 110.905 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -62.28 -53.76 50.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.369 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.8 mm -62.09 -40.29 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.22 109.989 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 31.0 mtmt -51.72 -63.69 1.05 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.042 0.448 . . . . 0.92 110.405 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.7 ttp -55.36 -47.94 75.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.934 -1.03 . . . . 1.41 112.212 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 3' ' ' HIS . 90.5 m -52.81 -55.95 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.27 111.111 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.8 mp -69.14 -48.63 61.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.713 -0.676 . . . . 1.03 109.215 -174.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.625 ' HA ' HD11 ' A' ' 48' ' ' LEU . 16.3 tm0? -48.75 -54.39 15.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.871 -1.058 . . . . 1.72 111.915 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 21.8 mm-40 -65.74 -47.38 75.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.155 0.428 . . . . 2.21 112.155 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 25' ' ' ALA . 49.0 mt -62.7 -43.56 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.39 110.27 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.595 HG23 ' NZ ' ' A' ' 112' ' ' LYS . 36.2 mt -57.66 -47.79 84.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.4 110.597 175.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 51.0 m -66.35 -25.66 66.92 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.928 -0.578 . . . . 1.32 111.571 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.4 mtt180 -60.8 -34.0 73.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.118 0.485 . . . . 2.87 110.037 172.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CE2' HG22 ' A' ' 107' ' ' ILE . 16.7 m-85 -88.46 -16.83 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 2.75 110.542 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.595 ' NZ ' HG23 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -73.13 -50.54 22.13 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.37 0.605 . . . . 1.63 109.563 172.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.93 -34.05 72.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.162 -0.926 . . . . 1.6 109.454 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.36 19.99 10.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.146 -1.388 . . . . 1.33 111.481 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.135 -0.936 . . . . 2.23 109.843 179.763 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 111.626 0.232 . . . . 3.79 111.626 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 p -68.99 -54.88 12.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 2.78 111.826 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.91 -26.62 65.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.156 0.503 . . . . 3.58 109.863 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' B' ' 29' ' ' LYS . 8.1 m-20 -69.35 -36.55 76.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.701 -0.681 . . . . 2.67 109.555 175.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.532 ' HA ' ' CG ' ' B' ' 29' ' ' LYS . 32.7 t70 -64.33 -35.92 82.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.16 109.9 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.49 -13.48 41.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.424 -0.807 . . . . 1.84 110.83 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.7 -41.02 7.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.391 -0.368 . . . . 2.39 111.137 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 9.6 ptmm? -84.0 -21.95 31.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.087 0.773 . . . . 2.91 113.087 -172.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 20.8 p-90 -58.81 -36.42 74.45 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.692 -0.484 . . . . 1.06 109.692 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.537 ' CH2' ' HG3' ' A' ' 61' ' ' ARG . 1.1 t-105 -59.79 -44.31 94.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.395 -0.821 . . . . 1.02 110.162 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.495 ' NE ' ' HA ' ' B' ' 32' ' ' ARG . 3.5 mmp_? -66.19 -40.86 90.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.135 -0.939 . . . . 3.37 110.737 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -66.72 -41.54 87.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 1.9 110.55 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.458 ' HB3' ' HG3' ' A' ' 52' ' ' PRO . 5.8 mm-40 -62.45 -44.09 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 2.32 110.838 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 35' ' ' GLU . 5.2 mm-40 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.32 -0.4 . . . . 3.14 111.458 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.67 63.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 2.58 111.101 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -68.51 -36.54 79.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.874 -0.603 . . . . 3.65 109.937 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.74 -45.18 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 3.22 109.849 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.6 tpt -94.21 89.32 5.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.738 . . . . 4.43 109.782 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.856 -0.969 . . . . 6.18 111.511 -178.809 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.478 0.587 0 N-CA-C 110.516 -0.609 . . . . 3.6 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -96.39 -51.9 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 1.99 110.587 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.413 ' HA ' HG21 ' A' ' 103' ' ' THR . 46.3 m80 -85.32 -16.67 39.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.111 -0.495 . . . . 0.61 111.625 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.8 p -143.87 163.18 34.12 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.652 0.739 . . . . 0.28 112.81 -174.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.73 150.59 8.11 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.128 -1.396 . . . . 0.15 110.223 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.76 123.28 19.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.359 0.599 . . . . 0.19 111.592 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.619 ' HA ' ' O ' ' A' ' 90' ' ' SER . . . -133.68 174.05 10.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.918 -1.037 . . . . 0.16 110.164 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.671 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.47 138.85 52.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.464 0.306 . . . . 0.36 110.312 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 37.8 t80 -147.5 133.63 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.99 -0.744 . . . . 0.39 108.99 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 43.3 mt-10 61.83 37.94 15.08 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.289 0.566 . . . . 1.33 111.187 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.35 0.14 1.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.701 -1.136 . . . . 2.23 113.08 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -105.34 147.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.48 -0.563 . . . . 0.26 109.48 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.671 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t -96.5 155.25 16.85 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.612 -0.722 . . . . 1.29 111.763 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.55 -150.3 7.65 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.006 -0.997 . . . . 0.17 111.589 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.01 145.83 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.18 109.821 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.6 133.82 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.315 -1.365 . . . . 0.17 107.315 172.392 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.95 107.72 5.37 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.14 0.422 . . . . 0.15 112.14 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -85.51 125.1 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.305 -0.628 . . . . 0.23 109.305 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -117.57 122.11 42.76 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.587 -0.733 . . . . 1.36 111.225 -172.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -118.96 71.61 0.86 Allowed 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 108.037 -1.097 . . . . 1.47 108.037 169.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -112.64 -23.17 10.37 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.221 1.486 . . . . 3.67 108.482 165.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.49 -168.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 111.759 -2.473 . . . . 0.9 111.62 -161.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 11.1 m -72.52 170.49 12.89 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 105.596 -2.002 . . . . 1.23 105.596 173.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.0 Cg_exo -34.31 126.76 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.77 2.313 . . . . 0.56 113.596 -148.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.06 134.89 0.99 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 113.817 -1.538 . . . . 0.27 112.484 -166.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.77 151.24 41.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.084 0.469 . . . . 0.69 110.354 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.09 128.71 49.88 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.537 -0.912 . . . . 0.59 108.537 177.281 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -121.99 107.81 12.67 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 116.104 -0.498 . . . . 0.22 110.895 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 78.9 t90 -90.18 128.26 36.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.97 -0.752 . . . . 0.22 108.97 173.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.6 ptt85 -132.52 126.63 33.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.116 -0.493 . . . . 1.93 110.738 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -59.03 151.37 22.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 0.27 110.339 -177.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.4 HG23 ' HA2' ' A' ' 14' ' ' GLY . 38.5 p -56.9 -23.71 46.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.464 -0.789 . . . . 0.97 112.41 -170.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.53 -28.59 59.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.082 0.467 . . . . 2.57 110.836 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.28 16.2 33.11 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.998 -0.546 . . . . 1.07 112.186 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.69 -55.37 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 2.64 111.686 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.669 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.6 tttp -90.16 120.35 31.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.445 0.64 . . . . 1.2 110.95 -171.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.2 t -131.12 132.61 63.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.698 -1.137 . . . . 0.83 109.759 -175.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 8.6 m-70 -132.7 123.4 26.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.765 -0.828 . . . . 0.33 108.765 176.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.74 128.46 55.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.373 0.606 . . . . 0.32 111.627 -172.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -116.37 101.25 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.23 110.588 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.5 OUTLIER -71.41 120.9 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.63 109.174 175.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.059 -0.973 . . . . 1.24 113.477 -165.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -67.3 -10.52 51.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.693 0.282 . . . . 1.08 111.649 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -96.03 -7.01 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.708 0.289 . . . . 0.36 110.628 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.5 mm -100.26 142.25 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-O 121.213 0.53 . . . . 0.36 111.479 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 13.4 t70 -106.03 -48.77 3.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.274 -0.875 . . . . 0.7 111.08 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB3' HG13 ' A' ' 63' ' ' ILE . 43.1 tptt -134.32 173.77 11.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.529 0.681 . . . . 1.56 110.703 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.604 HD13 ' HG2' ' A' ' 105' ' ' GLN . 4.4 mp -129.29 157.69 41.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.084 -0.962 . . . . 1.37 109.751 171.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.591 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -130.68 138.28 49.97 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.12 -0.946 . . . . 2.28 108.695 173.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.727 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -142.68 134.61 27.05 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.299 -0.409 . . . . 0.43 110.031 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 p -68.52 146.99 98.06 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.574 -0.739 . . . . 0.55 111.819 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.09 136.23 63.82 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 123.219 2.613 . . . . 1.1 111.995 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -18.0 63.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 1.58 111.261 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 p -73.62 -8.03 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.928 -0.578 . . . . 1.55 110.849 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 t -106.34 149.58 26.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.946 -0.761 . . . . 1.32 108.946 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 39.4 tt0 -78.79 -19.89 51.11 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.886 0.374 . . . . 2.37 110.703 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.14 111.22 12.51 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.669 -0.412 . . . . 2.29 111.616 -173.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 91' ' ' PHE . 3.1 mpp? -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.173 -0.467 . . . . 1.13 110.383 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.405 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 7.0 tpp -152.19 134.26 14.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 0.63 111.873 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -115.96 146.91 41.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.48 109.419 171.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . 60.4 mtt180 -120.89 147.84 44.86 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.119 0.485 . . . . 2.37 110.091 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 2.7 mm? -111.98 102.25 10.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.149 -0.932 . . . . 0.7 108.531 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.3 mm -87.54 100.42 10.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 120.651 -0.42 . . . . 0.41 110.579 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -65.81 152.26 51.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.425 -0.893 . . . . 0.37 112.452 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 21.3 mtpt -69.03 147.46 51.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.077 0.465 . . . . 1.16 110.255 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -113.56 148.77 16.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.699 -0.682 . . . . 1.48 109.712 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 70' ' ' LYS . 10.1 m-20 -102.72 80.14 1.87 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.783 -0.644 . . . . 4.14 110.258 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -26.95 50.53 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.422 -0.808 . . . . 4.61 109.822 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 p -65.62 -34.09 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.319 -0.855 . . . . 4.68 110.821 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 67' ' ' ASP . 7.6 mptt -86.8 -27.84 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 6.99 110.587 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.01 143.91 55.36 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.679 0.752 . . . . 8.2 111.286 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -76.91 164.16 26.05 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.464 -1.244 . . . . 10.67 110.536 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 95.4 mttt -101.14 171.19 7.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.317 -0.856 . . . . 8.97 110.772 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.24 -174.04 4.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.895 -0.593 . . . . 8.74 110.037 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -72.68 -25.06 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.436 . . . . 11.37 110.53 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -95.23 -3.1 48.23 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.755 -0.831 . . . . 11.2 108.755 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.648 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 101.18 -60.52 0.61 Allowed Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 109.039 -1.624 . . . . 8.81 109.039 -169.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 54.35 -45.07 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.906 1.447 . . . . 8.6 114.906 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.02 67.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.558 0.694 . . . . 8.38 109.218 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.8 m -77.04 141.99 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 114.963 -1.017 . . . . 5.39 110.733 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.78 119.98 68.21 Favored Pre-proline 0 N--CA 1.441 -0.919 0 N-CA-C 109.269 -0.641 . . . . 4.27 109.269 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -77.11 134.98 14.91 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.613 2.209 . . . . 2.92 111.71 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.3 mmmt -68.17 118.71 61.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 4.42 110.617 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.482 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 42.4 Cg_exo -61.35 139.72 84.22 Favored 'Trans proline' 0 C--N 1.331 -0.377 0 C-N-CA 123.922 3.082 . . . . 0.94 112.97 -176.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -89.42 115.63 27.01 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.741 -0.837 . . . . 2.01 108.741 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.3 ptt180 -123.02 154.6 38.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.902 -0.59 . . . . 2.24 111.228 -170.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 87.2 m-70 -102.4 156.09 17.82 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.9 ttm -131.0 131.51 44.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.655 -0.418 . . . . 0.73 110.95 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.52 141.15 49.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.94 110.364 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.619 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.9 t -109.44 133.06 53.54 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 110.433 -0.21 . . . . 1.3 110.433 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.618 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.5 m-85 -112.42 178.36 4.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.32 109.578 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.22 7.46 12.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.983 -0.553 . . . . 1.17 111.519 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -141.29 138.72 33.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.624 0.249 . . . . 1.62 110.886 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.473 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 3.3 mpt_? -67.4 -38.86 85.3 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.037 -0.528 . . . . 3.68 110.676 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 m -60.5 -50.02 75.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.657 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.99 -53.03 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.061 -0.518 . . . . 0.27 110.731 173.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.458 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 25.9 mtp -46.83 -58.47 3.88 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 112.155 0.428 . . . . 0.84 112.155 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.0 t70 -67.04 -36.95 83.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.408 -0.36 . . . . 0.67 111.368 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -66.95 -53.24 33.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.462 -0.335 . . . . 1.55 110.581 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' A' ' 104' ' ' LEU . 48.3 mm -59.08 -41.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.22 109.945 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.727 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 39.4 mtmt -50.53 -61.6 2.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.92 110.787 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -60.47 -47.42 86.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 1.41 111.736 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 107' ' ' ILE . 94.7 m -52.85 -52.6 56.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.27 110.7 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 48' ' ' LEU . 63.5 mt -60.88 -59.72 4.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.75 -0.659 . . . . 1.03 111.275 177.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.1 tm0? -53.14 -45.9 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.834 -1.075 . . . . 1.72 112.743 -172.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.94 -42.66 84.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.82 0.304 . . . . 2.21 111.82 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.722 HG21 ' HB3' ' A' ' 25' ' ' ALA . 52.1 mt -66.58 -41.0 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.67 -0.493 . . . . 0.39 109.67 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 48' ' ' LEU . 31.0 mt -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.711 -0.677 . . . . 0.4 110.209 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 m -61.57 -29.48 70.05 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.752 -0.658 . . . . 1.32 111.365 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.6 mtt180 -68.37 -28.41 67.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.707 0.289 . . . . 2.87 111.308 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.2 m-85 -93.9 -16.06 24.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.66 0.743 . . . . 2.75 109.673 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -77.56 -54.65 6.15 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.588 -1.187 . . . . 1.63 109.9 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.92 -24.57 55.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.163 -0.926 . . . . 1.6 108.571 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.82 21.44 5.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 113.716 -1.584 . . . . 1.33 111.654 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.604 -0.725 . . . . 2.23 109.675 175.643 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.599 0.238 . . . . 3.79 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -69.41 -15.96 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.395 0.517 . . . . 2.78 112.395 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' B' ' 27' ' ' PHE . 63.8 tt0 -62.63 -27.5 69.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 3.58 109.628 174.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.55 -28.52 41.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.186 -0.916 . . . . 2.67 109.66 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.523 ' HA ' ' HD3' ' B' ' 29' ' ' LYS . 1.7 m-20 -74.18 -12.58 60.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.312 -0.858 . . . . 2.16 111.776 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.608 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 21.6 m-85 -65.76 -14.17 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 1.84 111.184 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.76 -42.73 11.13 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.226 0.536 . . . . 2.39 109.668 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.523 ' HD3' ' HA ' ' B' ' 26' ' ' ASP . 46.8 mtpt -64.62 -49.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.303 -0.862 . . . . 2.91 111.977 -175.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.608 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 4.0 p-90 -71.21 -28.36 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.147 0.498 . . . . 1.06 110.764 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.405 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 1.5 t-105 -79.05 -48.61 14.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 1.02 110.68 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -82.38 -10.56 59.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.73 -0.668 . . . . 3.37 110.99 -173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.9 t -70.91 -49.42 46.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.695 -0.483 . . . . 1.9 109.695 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.44 -26.11 46.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 2.32 111.388 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.33 -27.32 65.27 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.716 -0.393 . . . . 3.14 110.326 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.08 -14.36 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 2.58 110.78 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -86.38 -42.47 13.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.23 -0.441 . . . . 3.65 110.0 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -76.91 -48.67 17.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.018 -0.537 . . . . 3.22 110.066 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.4 tpt 60.17 87.97 0.08 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.577 -0.738 . . . . 4.43 111.49 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.846 -0.975 . . . . 6.18 111.415 176.773 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo . . . . . 0 N--CA 1.481 0.752 0 N-CA-C 110.559 -0.593 . . . . 3.6 110.559 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 p -110.87 40.0 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.402 -0.363 . . . . 1.99 111.56 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.404 ' HA ' HG21 ' A' ' 103' ' ' THR . 23.9 m80 -150.82 -13.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.435 -0.348 . . . . 0.61 111.667 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 23.0 p -147.92 165.79 29.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.847 0.832 . . . . 0.28 113.119 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.24 8.58 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 114.026 -1.443 . . . . 0.15 110.108 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.51 116.36 8.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.309 0.576 . . . . 0.19 111.867 -173.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.803 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.77 175.86 6.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.134 -0.939 . . . . 0.16 110.156 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.47 138.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.968 -0.382 . . . . 0.36 109.968 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.6 t80 -148.78 128.9 13.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.623 -0.51 . . . . 0.39 109.623 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.602 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.8 mt-10 64.13 41.86 5.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.482 0.658 . . . . 1.33 110.992 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.44 0.48 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.398 -1.274 . . . . 2.23 113.257 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.529 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -108.7 147.85 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.33 -0.618 . . . . 0.26 109.33 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.6 m -94.34 156.82 16.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.988 -0.551 . . . . 1.29 111.624 -177.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.513 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -174.22 -148.97 6.8 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.712 . . . . 0.17 111.776 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.624 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.53 145.29 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.751 -0.462 . . . . 0.18 109.751 174.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.34 134.56 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.442 -1.318 . . . . 0.17 107.442 172.035 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.62 110.37 6.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.825 0.345 . . . . 0.15 111.871 -171.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -90.17 128.13 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.177 0.513 . . . . 0.23 110.253 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -117.01 120.41 38.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.44 -0.8 . . . . 1.36 111.02 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 18.9 mt-10 -116.74 71.34 0.79 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 107.721 -1.214 . . . . 1.47 107.721 168.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -112.35 -20.42 11.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 123.269 1.509 . . . . 3.67 108.186 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 m -110.14 -169.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 111.782 -2.463 . . . . 0.9 111.685 -163.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.538 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 36.4 p -73.08 170.1 15.11 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 105.437 -2.06 . . . . 1.23 105.437 172.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 72.3 Cg_exo -33.22 126.55 0.13 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.789 2.326 . . . . 0.56 114.01 -147.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.21 129.27 0.38 Allowed 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 125.492 1.745 . . . . 0.27 112.47 -169.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.5 mt-10 -115.33 144.34 43.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.942 -0.703 . . . . 0.69 109.534 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 18' ' ' ILE . 1.1 tt -103.41 127.4 50.79 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.212 -0.904 . . . . 0.59 108.784 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.5 m -119.05 108.03 14.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.792 -0.64 . . . . 0.22 110.83 -171.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.5 t90 -92.48 124.99 36.92 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.045 -0.724 . . . . 0.22 109.045 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 37' ' ' VAL . 3.2 ptt-85 -127.21 128.5 46.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.86 -0.609 . . . . 1.93 110.556 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.6 p -59.69 151.89 23.92 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.596 -0.729 . . . . 0.27 109.929 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HA2' ' A' ' 14' ' ' GLY . 18.5 p -57.77 -21.75 43.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.347 0.499 . . . . 0.97 112.347 -172.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.36 -28.77 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 2.57 110.659 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.25 3.11 55.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.137 -0.554 . . . . 1.07 112.434 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.33 -47.23 8.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.64 111.618 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.8 tttp -93.02 120.74 33.64 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.26 0.553 . . . . 1.2 110.994 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.7 t -134.96 135.41 52.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 114.941 -1.027 . . . . 0.83 109.589 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -135.56 126.5 27.68 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.078 -0.712 . . . . 0.33 109.078 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -111.87 117.85 33.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.734 0.778 . . . . 0.32 111.609 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 39.8 t -103.27 102.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.65 -1.159 . . . . 0.23 110.431 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.25 110.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.708 0.766 . . . . 0.63 109.287 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -49.69 -31.76 11.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 115.166 1.543 . . . . 1.24 115.166 -172.383 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 m -63.36 -4.35 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 119.303 0.956 . . . . 1.08 112.365 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -101.76 -3.22 28.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.628 -0.508 . . . . 0.36 109.628 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 19.7 mm -91.99 146.27 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.564 -0.744 . . . . 0.36 109.939 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 16.7 t70 -103.48 -43.06 5.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.167 0.508 . . . . 0.7 110.354 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 21.1 tptm -143.94 171.35 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.964 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 108' ' ' ILE . 1.5 pt? -132.31 149.15 52.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.688 -0.856 . . . . 1.37 108.688 166.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' CG ' HD11 ' A' ' 63' ' ' ILE . 13.6 mm100 -135.29 139.15 44.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.637 -0.505 . . . . 2.28 109.637 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -122.41 150.05 42.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.439 -0.346 . . . . 0.43 110.087 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.14 140.38 78.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 112.512 0.56 . . . . 0.55 112.512 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.32 146.24 73.74 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.326 2.684 . . . . 1.1 111.64 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -19.13 63.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 1.58 112.432 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.8 p -76.61 -16.97 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.914 0.388 . . . . 1.55 110.805 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.492 ' HB2' ' HG2' ' B' ' 34' ' ' GLU . 22.7 t -90.19 143.1 27.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.223 0.535 . . . . 1.32 110.664 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 34.4 tt0 -89.47 -16.14 31.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.635 -0.711 . . . . 2.37 110.358 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.12 111.09 13.68 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.327 -0.549 . . . . 2.29 110.628 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 97' ' ' MET . 3.3 mpp? -70.22 118.14 12.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.145 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.0 tpp -152.93 136.83 16.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.63 111.682 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.4 mm? -121.44 146.03 47.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.319 -0.623 . . . . 0.48 109.319 169.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -116.78 142.47 46.87 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.31 0.576 . . . . 2.37 111.384 174.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -105.56 108.12 19.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.932 -1.136 . . . . 0.7 107.932 173.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.597 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.9 mm -87.98 97.98 7.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.661 -0.866 . . . . 0.41 108.661 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -70.84 147.02 42.62 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 119.943 -1.122 . . . . 0.37 111.862 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -60.43 158.98 10.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.825 0.822 . . . . 1.16 112.218 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -104.32 109.27 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 114.589 -1.187 . . . . 1.48 109.318 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -82.07 145.84 29.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.505 -0.771 . . . . 4.14 109.605 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -60.78 -18.51 55.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 4.61 111.519 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -82.09 -21.29 36.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.122 0.487 . . . . 4.68 110.961 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -95.79 -7.53 36.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.863 -0.608 . . . . 6.99 110.293 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 79' ' ' GLU . 67.2 tttt -51.94 152.64 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.774 . . . . 8.2 111.086 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HD3' ' HB3' ' A' ' 82' ' ' PRO . 48.4 mtp180 -132.24 168.38 18.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.722 0.772 . . . . 10.67 112.45 -172.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 9.6 mtmp? -132.74 147.3 52.32 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.985 -1.461 . . . . 8.97 109.597 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.15 178.94 8.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.62 -0.718 . . . . 8.74 109.739 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -57.88 -31.75 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 11.37 110.856 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -89.31 8.24 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.211 0.529 . . . . 11.2 111.043 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.45 79.56 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.69 -0.687 . . . . 8.81 113.476 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 1.6 m120 -72.56 118.78 15.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.236 -0.653 . . . . 8.6 109.236 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . 11.4 pt-20 -71.88 69.25 0.69 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 114.797 -1.092 . . . . 8.38 111.039 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.9 m -76.36 139.85 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.938 -1.028 . . . . 5.39 110.178 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.17 123.83 89.96 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-N 116.204 -0.453 . . . . 4.27 109.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.465 ' HB3' ' HD3' ' A' ' 72' ' ' ARG . 69.8 Cg_endo -74.0 148.73 40.64 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.594 2.196 . . . . 2.92 111.669 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 14.0 mptt -64.3 124.9 87.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 4.42 110.563 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.611 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 74.3 Cg_exo -54.34 141.41 71.66 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 124.154 3.236 . . . . 0.94 112.811 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.39 115.56 8.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.139 0.495 . . . . 2.01 109.882 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.597 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.2 mtm180 -102.67 134.93 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 112.918 0.71 . . . . 2.24 112.918 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.612 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 12.7 m-70 -102.71 119.55 39.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.101 -1.444 . . . . 0.6 107.101 173.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.46 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 34.1 ttm -110.05 128.38 55.39 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.237 -0.585 . . . . 0.73 110.904 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 62' ' ' LEU . 27.8 m-85 -124.69 137.5 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.122 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.0 t -105.11 134.3 48.45 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.582 -0.281 . . . . 1.3 110.86 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.803 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.6 m-85 -111.87 178.17 4.41 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.085 -0.709 . . . . 0.32 109.085 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -135.69 26.94 3.36 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.884 -0.598 . . . . 1.17 110.704 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.22 139.68 35.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.62 110.192 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' NH2' ' HG3' ' A' ' 56' ' ' GLU . 11.0 mmt180 -71.09 -37.45 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 3.68 110.869 -176.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.6 m -72.14 -47.23 52.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.5 111.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.9 t -47.08 -46.98 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.223 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 58' ' ' MET . 65.8 mmm -44.24 -65.64 0.49 Allowed 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.432 0.458 . . . . 0.84 112.23 172.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.46 -35.43 72.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.522 0.514 . . . . 0.67 111.241 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -67.2 -59.41 3.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.433 -0.349 . . . . 1.55 110.749 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -58.21 -41.52 81.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.22 110.114 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 60' ' ' LEU . 48.9 mtpt -50.76 -64.33 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.92 110.613 175.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 37.8 ttp -56.03 -50.97 69.43 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.872 -1.058 . . . . 1.41 112.27 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 3' ' ' HIS . 78.7 m -49.95 -54.19 21.47 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.358 0.599 . . . . 0.27 111.337 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -67.41 -51.79 47.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.178 -0.919 . . . . 1.03 109.414 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.558 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -49.56 -46.76 49.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.024 -0.989 . . . . 1.72 112.27 -177.384 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.605 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 51.9 mt-30 -64.31 -44.7 90.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.351 0.13 . . . . 2.21 111.351 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.519 HG21 ' HB3' ' A' ' 25' ' ' ALA . 40.4 mt -65.26 -42.76 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.39 110.16 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 62.8 mt -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.833 -0.622 . . . . 0.4 109.919 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 39.8 t -58.37 -31.32 67.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.369 -0.378 . . . . 1.32 110.253 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 92.7 mtt180 -62.28 -50.25 72.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.156 -0.474 . . . . 2.87 110.516 176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 8.6 p90 -87.04 -3.78 59.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.355 -0.538 . . . . 2.75 111.915 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 40.0 mttm -75.7 -51.22 13.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.217 0.532 . . . . 1.63 109.935 169.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 115' ' ' ASP . 13.6 t70 -73.58 -38.34 65.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.526 -0.761 . . . . 1.6 109.712 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.85 50.56 15.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.449 -0.796 . . . . 1.33 110.606 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 24.0 t70 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.89 -1.05 . . . . 2.23 110.52 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.405 0.145 . . . . 3.79 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 p -65.03 -51.61 60.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 2.78 111.406 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -66.46 -27.29 67.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.086 0.47 . . . . 3.58 110.462 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.556 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 6.0 m-20 -72.88 -49.51 29.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 2.67 110.677 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.29 -26.06 67.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.37 0.605 . . . . 2.16 109.885 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -73.24 -14.91 61.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.84 111.2 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.3 pp -108.92 -30.43 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.719 -0.392 . . . . 2.39 111.36 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -76.65 -25.8 54.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.425 0.528 . . . . 2.91 112.425 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -61.64 -24.66 66.87 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.156 0.503 . . . . 1.06 110.172 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.549 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.5 t-105 -69.67 -48.53 59.47 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.734 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -77.14 -26.96 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 3.37 110.09 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -59.04 -37.35 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 1.9 109.602 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 55' ' ' SER . 10.5 tp10 -77.87 -42.78 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.594 -0.73 . . . . 2.32 110.792 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 46.7 mt-10 -65.48 -24.91 67.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.321 -0.399 . . . . 3.14 111.537 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.04 -20.63 61.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.629 -0.259 . . . . 2.58 111.301 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -65.37 -43.81 89.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 3.65 111.261 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -85.16 -10.74 56.35 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.765 0.317 . . . . 3.22 110.604 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mmt -74.9 -44.36 49.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 4.43 110.138 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 118.509 -1.162 . . . . 6.18 111.883 177.68 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.481 0.738 0 N-CA-C 110.731 -0.527 . . . . 3.6 110.731 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -79.87 75.57 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 1.99 110.79 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' HG21 ' A' ' 103' ' ' THR . 21.8 m80 -150.37 -15.84 0.24 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.61 111.693 174.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 37.4 p -146.06 171.38 14.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.489 0.662 . . . . 0.28 112.501 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.53 146.93 5.1 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 114.394 -1.275 . . . . 0.15 110.359 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.01 118.02 9.88 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.305 0.574 . . . . 0.19 111.477 -172.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.04 174.0 8.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.16 110.057 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.38 129.65 62.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.356 -0.384 . . . . 0.36 110.009 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.621 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 43.6 t80 -143.77 132.51 22.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.39 109.019 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.621 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 45.9 mt-10 66.48 29.6 9.05 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.601 0.715 . . . . 1.33 110.33 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 69.0 -0.4 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.177 -1.374 . . . . 2.23 112.95 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -100.85 148.72 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.914 -0.773 . . . . 0.26 108.914 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 11.2 t -95.3 152.97 17.91 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.725 -0.67 . . . . 1.29 111.952 -175.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.39 -150.21 7.35 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.84 -1.073 . . . . 0.17 111.559 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.07 145.66 29.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.796 -0.446 . . . . 0.18 109.796 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.04 130.59 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 106.943 -1.503 . . . . 0.17 106.943 170.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.11 110.09 6.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 0.15 112.051 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -91.12 123.41 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.204 0.526 . . . . 0.23 110.746 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -108.92 124.91 51.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.925 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 26.4 mt-10 -120.74 72.42 0.96 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 107.558 -1.275 . . . . 1.47 107.558 167.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.62 -24.35 9.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.126 1.441 . . . . 3.67 108.38 166.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.23 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 112.085 -2.325 . . . . 0.9 112.044 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 15.7 p -73.49 170.79 12.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 N-CA-C 105.684 -1.969 . . . . 1.23 105.684 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.7 Cg_exo -33.7 125.58 0.15 Allowed 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.53 2.153 . . . . 0.56 113.751 -145.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.88 132.03 1.29 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 113.651 -1.613 . . . . 0.27 112.499 -167.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 5.2 mt-10 -118.02 146.04 44.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.206 0.527 . . . . 0.69 109.965 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -103.44 129.13 50.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.406 -0.815 . . . . 0.59 109.126 -178.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.2 m -118.27 107.03 13.4 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 120.586 -0.446 . . . . 0.22 110.952 -173.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -88.45 118.95 28.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.078 -1.082 . . . . 0.22 108.078 169.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.71 ' CB ' HG22 ' A' ' 37' ' ' VAL . 22.0 ptt180 -128.71 130.71 47.5 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.849 -0.614 . . . . 1.93 109.509 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.4 p -64.78 158.45 24.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.877 -0.602 . . . . 0.27 110.995 -171.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.2 p -55.84 -37.9 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.97 110.921 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.73 -29.14 69.04 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.911 -0.586 . . . . 2.57 111.438 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.89 -0.07 66.77 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.449 -0.661 . . . . 1.07 111.449 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.28 -40.73 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.124 0.487 . . . . 2.64 110.649 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 14.0 mttt -95.29 130.25 42.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 1.2 110.901 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.7 t -144.06 123.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.532 -0.914 . . . . 0.83 108.532 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' THR . 12.4 m-70 -128.69 125.27 37.64 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.393 -0.595 . . . . 0.33 109.393 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.64 120.48 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.527 0.679 . . . . 0.32 112.109 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 28.5 t -104.61 101.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.869 -1.06 . . . . 0.23 110.543 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -73.54 119.26 20.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.632 0.73 . . . . 0.63 109.383 175.771 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 45' ' ' ILE . 53.2 mt -67.87 -13.89 62.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.024 1.12 . . . . 1.24 114.024 -165.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 p -70.97 -14.49 62.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.901 0.382 . . . . 1.08 111.1 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -92.94 -3.13 55.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.318 0.58 . . . . 0.36 109.789 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.584 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 21.1 mm -94.38 137.96 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.35 -0.841 . . . . 0.36 111.104 -177.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -103.72 -42.9 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.7 110.873 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HB3' HG13 ' A' ' 63' ' ' ILE . 7.4 mmtt -135.17 176.01 9.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.584 0.707 . . . . 1.56 111.277 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.77 141.33 27.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.899 -1.046 . . . . 1.37 108.559 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 37.2 mt-30 -135.48 149.32 49.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.666 0.27 . . . . 2.28 110.357 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -139.48 147.54 41.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.557 -0.535 . . . . 0.43 109.557 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -61.21 139.15 94.56 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.022 0.378 . . . . 0.55 112.022 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HG2' ' OG ' ' A' ' 55' ' ' SER . 13.9 Cg_endo -57.33 150.26 59.8 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.364 2.709 . . . . 1.1 111.743 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -62.51 -25.57 68.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.804 -0.634 . . . . 1.58 111.679 -176.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 p -68.97 -31.84 70.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 1.55 110.732 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 52' ' ' PRO . 16.4 m -86.68 123.09 31.46 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.875 -0.602 . . . . 1.32 110.29 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.93 -38.2 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 2.37 111.555 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -61.25 138.57 58.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.303 0.573 . . . . 2.29 111.54 -172.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -96.51 122.67 39.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.28 -0.873 . . . . 1.13 109.84 -174.794 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.7 tpp -149.37 138.41 21.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.736 0.303 . . . . 0.63 111.33 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 101' ' ' LYS . 1.1 mm? -121.0 145.3 47.9 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.954 -0.566 . . . . 0.48 109.598 167.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.4 mtt180 -117.35 140.75 49.17 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.615 -0.72 . . . . 2.37 111.403 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -105.61 104.14 13.79 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.446 -1.252 . . . . 0.7 108.286 170.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 13.1 mm -87.26 99.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.112 -0.699 . . . . 0.41 109.112 -178.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.39 161.59 53.44 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.92 -0.872 . . . . 0.37 110.92 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -59.31 158.52 9.12 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.727 0.775 . . . . 1.16 110.083 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . 31.0 m -90.97 163.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.516 -1.22 . . . . 1.48 112.812 -161.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.64 148.72 48.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.538 -1.664 . . . . 4.14 110.48 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.7 -1.77 0.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.04 0.755 . . . . 4.61 113.04 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -64.62 1.74 0.78 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.943 0.401 . . . . 4.68 111.469 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' N ' ' HB3' ' A' ' 82' ' ' PRO . 68.8 tttt -68.41 -11.46 59.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.548 0.689 . . . . 6.99 109.604 169.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.32 163.96 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.005 -0.998 . . . . 8.2 110.823 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 171.34 0.25 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.768 -0.651 . . . . 10.67 111.777 -176.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -64.7 154.09 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.639 0.733 . . . . 8.97 111.914 -173.316 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.53 177.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.669 -1.15 . . . . 8.74 110.564 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.32 -31.63 69.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.167 0.508 . . . . 11.37 109.968 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.07 -3.14 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.676 -0.693 . . . . 11.2 110.914 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.02 25.53 74.51 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.363 -0.835 . . . . 8.81 112.786 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.47 ' O ' HG13 ' A' ' 80' ' ' VAL . 6.2 m-20 -80.05 104.0 10.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 122.035 0.921 . . . . 8.6 109.423 173.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 2.6 tm-20 -68.77 73.65 0.26 Allowed 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 112.849 -1.978 . . . . 8.38 108.35 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 78' ' ' ASN . 14.0 m -75.9 137.94 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.989 -1.005 . . . . 5.39 110.843 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.53 130.58 55.56 Favored Pre-proline 0 N--CA 1.445 -0.714 0 CA-C-N 115.95 -0.568 . . . . 4.27 109.626 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.404 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 43.2 Cg_endo -69.06 128.26 16.4 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.088 1.859 . . . . 2.92 111.803 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 6.4 mtpm? -88.11 118.74 69.94 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-O 121.374 0.607 . . . . 4.42 110.463 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 16.7 Cg_exo -70.05 138.69 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.709 2.939 . . . . 0.94 111.465 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -88.39 114.11 24.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.382 -0.599 . . . . 2.01 109.382 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -118.17 148.28 42.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.772 0.796 . . . . 2.24 112.534 -171.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.2 m-70 -105.21 148.54 26.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.612 -1.176 . . . . 0.6 107.968 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.7 ttm -133.55 130.41 38.4 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.521 -0.471 . . . . 0.73 110.746 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -126.8 136.14 51.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.94 110.604 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.547 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 46.9 m -103.18 126.7 50.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.788 -0.642 . . . . 1.3 111.884 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.5 m-85 -112.91 179.16 4.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.701 -0.481 . . . . 0.32 109.701 173.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 11.6 p30 -135.7 26.89 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.648 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.45 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -143.48 125.18 14.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.082 -0.71 . . . . 1.62 109.082 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.437 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 7.7 tpt180 -73.75 -30.59 62.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 3.68 111.009 -173.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 22.7 m -64.52 -47.92 77.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.435 -0.348 . . . . 0.5 110.17 175.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -51.44 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.27 110.353 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 13.3 mtp -45.62 -57.4 4.22 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.165 0.431 . . . . 0.84 112.165 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 29.6 t70 -63.35 -40.72 98.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.67 111.561 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -66.5 -54.58 22.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.493 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.804 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -58.18 -41.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.22 110.152 175.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 14.9 mtmt -49.01 -64.84 0.69 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.523 0.677 . . . . 0.92 110.581 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.3 ttp -56.88 -49.24 76.12 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.358 -1.292 . . . . 1.41 111.765 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 107' ' ' ILE . 68.0 m -50.66 -47.22 58.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.27 111.251 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.6 mp -79.7 -49.95 11.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.825 -0.625 . . . . 1.03 109.494 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tm0? -55.21 -44.16 75.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.531 -1.213 . . . . 1.72 111.901 -177.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -64.73 -44.56 89.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.379 0.133 . . . . 2.21 111.007 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 25' ' ' ALA . 78.2 mt -61.94 -41.79 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.065 0.46 . . . . 0.39 110.217 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.15 -45.42 98.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.912 -0.586 . . . . 0.4 110.33 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 47.9 t -61.04 -37.29 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 1.32 110.529 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.65 -34.95 75.05 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.186 0.595 . . . . 2.87 111.345 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -89.24 -16.43 31.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 2.75 110.673 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 34.1 mttm -74.54 -49.87 20.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 1.63 110.396 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.53 -29.49 27.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.283 -0.871 . . . . 1.6 110.053 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 63.48 20.36 12.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.46 -1.245 . . . . 1.33 112.11 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.284 -0.865 . . . . 2.23 109.876 177.677 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.406 0.146 . . . . 3.79 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.9 p -71.88 -56.39 5.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 2.78 110.995 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.588 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 84.1 mm-40 -65.1 -26.97 68.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.104 -0.498 . . . . 3.58 110.362 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.62 -43.22 99.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.634 -0.712 . . . . 2.67 110.457 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.1 -36.88 72.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.419 . . . . 2.16 110.004 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.63 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 43.0 m-85 -64.08 -15.68 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.814 -0.63 . . . . 1.84 111.506 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 94.9 mt -85.05 -53.31 5.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.692 -0.231 . . . . 2.39 110.84 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -71.93 -34.83 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.331 0.493 . . . . 2.91 112.331 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.63 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.3 p-90 -71.56 -23.35 61.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.41 0.624 . . . . 1.06 109.844 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -84.35 -47.62 10.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.507 -0.77 . . . . 1.02 109.98 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -73.9 -33.13 63.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.521 -0.763 . . . . 3.37 111.478 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -57.44 -49.46 76.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 1.9 110.743 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -45.31 20.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.144 -0.48 . . . . 2.32 112.101 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.86 -43.71 62.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.376 0.51 . . . . 3.14 112.376 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.5 -16.46 62.34 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.806 -0.358 . . . . 2.58 110.665 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -64.62 -28.89 69.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 3.65 110.4 177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.44 -28.94 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 3.22 109.996 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 49.4 ttm -80.96 -40.59 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.709 -0.678 . . . . 4.43 110.392 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 118.559 -1.134 . . . . 6.18 111.609 178.091 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.475 0.428 0 N-CA-C 110.557 -0.594 . . . . 3.6 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.45 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 31.6 p 44.26 75.66 0.1 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 124.294 0.996 . . . . 1.99 112.664 177.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -152.64 -14.48 0.17 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.806 0.299 . . . . 0.61 111.806 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.61 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 52.7 p -152.48 167.26 29.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.794 0.807 . . . . 0.28 112.727 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.94 148.94 5.79 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 114.052 -1.431 . . . . 0.15 110.311 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.89 115.94 7.2 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.274 0.559 . . . . 0.19 111.646 -173.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.52 177.51 5.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.86 -1.064 . . . . 0.16 109.901 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.17 138.23 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 110.32 -0.252 . . . . 0.36 110.32 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 48.2 t80 -147.35 132.86 18.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.688 -0.856 . . . . 0.39 108.688 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.9 mt-10 65.19 32.28 10.2 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.168 0.509 . . . . 1.33 110.694 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.7 mmtm 65.09 4.05 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.885 -1.052 . . . . 2.23 113.463 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -104.84 148.41 9.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.876 -0.787 . . . . 0.26 108.876 171.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 16.2 t -95.74 154.11 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.393 0.616 . . . . 1.29 111.676 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.66 -150.47 7.35 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 114.755 -1.111 . . . . 0.17 111.435 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.636 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.58 144.88 29.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 0.18 109.863 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.13 129.38 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 106.975 -1.491 . . . . 0.17 106.975 171.535 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.41 111.64 7.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.833 0.349 . . . . 0.15 111.86 -169.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -90.11 127.54 42.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.167 0.508 . . . . 0.23 110.521 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -114.71 119.94 38.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.363 -0.835 . . . . 1.36 110.551 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 9.4 mt-10 -122.38 72.83 1.08 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.468 -0.938 . . . . 1.47 108.468 168.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.04 -20.56 11.46 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.104 1.43 . . . . 3.67 108.185 164.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 23' ' ' SER . 26.5 m -107.47 -170.23 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 112.116 -2.311 . . . . 0.9 111.601 -161.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 9.1 p -73.56 168.84 21.71 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 105.853 -1.906 . . . . 1.23 105.853 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 49.9 Cg_exo -34.87 126.33 0.22 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.363 2.042 . . . . 0.56 113.597 -144.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.78 131.05 1.38 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 113.527 -1.67 . . . . 0.27 112.543 -166.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -117.72 148.89 41.59 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.231 0.539 . . . . 0.69 110.49 -176.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -103.11 129.85 50.09 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.381 -0.827 . . . . 0.59 108.914 179.763 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -118.52 108.02 14.48 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.187 -0.46 . . . . 0.22 111.048 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -91.76 121.39 33.35 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.689 -0.856 . . . . 0.22 108.689 171.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.843 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -125.04 128.96 49.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.979 -0.555 . . . . 1.93 110.284 177.614 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.1 p -60.71 156.76 16.13 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 0.27 110.279 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' HA2' ' A' ' 14' ' ' GLY . 27.6 p -59.31 -20.71 56.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.841 -0.618 . . . . 0.97 112.175 -173.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.33 -28.45 29.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.483 . . . . 2.57 110.713 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.02 -1.43 57.74 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.835 -0.62 . . . . 1.07 112.092 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.52 -47.07 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.788 0.328 . . . . 2.64 111.582 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 9.0 mttp -91.54 130.54 37.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.311 -0.404 . . . . 1.2 111.399 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.4 t -138.87 125.3 24.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.95 -0.759 . . . . 0.83 108.95 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -129.5 117.38 20.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.042 -0.725 . . . . 0.33 109.042 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 26' ' ' GLU . 1.1 m -109.67 124.49 51.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.709 0.766 . . . . 0.32 112.037 -171.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 t -109.55 103.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.611 -1.177 . . . . 0.23 110.738 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -70.86 116.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.708 . . . . 0.63 109.405 175.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.45 -17.52 63.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.82 -1.082 . . . . 1.24 113.063 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 29.3 t -66.29 -15.1 62.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.771 0.319 . . . . 1.08 110.84 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 p -102.87 4.6 37.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.579 -0.282 . . . . 0.36 110.843 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.4 mm -100.59 130.59 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.03 0.443 . . . . 0.36 110.879 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -91.35 -47.18 7.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.7 110.916 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 63' ' ' ILE . 40.3 tptt -133.62 169.97 16.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.425 0.631 . . . . 1.56 110.138 -175.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -146.0 137.52 24.87 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.224 -0.898 . . . . 1.37 108.86 176.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -144.15 138.11 27.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.033 0.444 . . . . 2.28 111.522 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.587 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -112.01 166.54 11.14 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.598 -0.728 . . . . 0.43 109.308 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.43 137.05 96.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.55 111.108 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.07 155.16 24.73 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.385 2.723 . . . . 1.1 112.049 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -17.86 61.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.883 -0.599 . . . . 1.58 111.903 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.6 p -84.72 -4.74 59.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.08 0.467 . . . . 1.55 110.789 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -111.81 127.64 55.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.32 110.039 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -40.98 71.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.593 -0.73 . . . . 2.37 111.158 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -57.37 122.72 13.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.891 0.745 . . . . 2.29 111.679 -167.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.676 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.4 mpp? -77.12 116.1 17.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 1.13 111.191 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.412 ' HG2' ' CZ3' ' B' ' 31' ' ' TRP . 10.4 tpp -153.32 137.06 16.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.96 -0.563 . . . . 0.63 111.899 -176.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -119.94 147.79 44.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.474 -0.565 . . . . 0.48 109.474 170.034 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -116.94 141.89 47.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.879 -0.601 . . . . 2.37 111.584 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -108.66 103.69 12.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.731 -1.122 . . . . 0.7 108.707 171.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.583 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.0 mm -87.84 99.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.284 -0.635 . . . . 0.41 109.284 -176.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -70.52 148.91 46.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.534 -0.841 . . . . 0.37 112.744 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -69.39 159.37 33.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.668 0.747 . . . . 1.16 112.09 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' HZ1' ' A' ' 71' ' ' LYS . 27.1 m -116.93 109.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 114.649 -1.159 . . . . 1.48 109.201 171.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.61 145.78 47.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.403 -0.591 . . . . 4.14 109.403 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.76 -23.46 67.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.125 -0.489 . . . . 4.61 111.76 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -87.36 -8.57 56.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 4.68 110.795 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -86.08 -6.46 59.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.078 -0.51 . . . . 6.99 110.981 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HZ1' HG23 ' A' ' 66' ' ' VAL . 11.9 mptt -55.25 153.1 7.37 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.993 0.425 . . . . 8.2 110.906 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -133.67 167.87 19.73 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.101 -0.5 . . . . 10.67 111.478 -169.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 53.3 mtmt -120.33 147.9 44.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.543 -0.753 . . . . 8.97 109.899 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.75 -172.25 3.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 8.74 110.156 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -60.33 -33.06 71.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.299 0.481 . . . . 11.37 112.299 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -96.51 17.88 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.982 0.42 . . . . 11.2 110.931 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.99 46.08 46.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.859 -0.686 . . . . 8.81 111.624 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 2.7 m-20 -96.65 109.65 22.23 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 108.001 -1.111 . . . . 8.6 108.001 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.5 70.0 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.506 -1.225 . . . . 8.38 111.065 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.58 142.62 13.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.87 -1.059 . . . . 5.39 110.925 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.56 127.93 86.55 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 115.977 -0.556 . . . . 4.27 110.07 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HE3' ' A' ' 71' ' ' LYS . 61.6 Cg_endo -74.47 135.17 19.76 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.742 2.294 . . . . 2.92 112.237 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 12.2 mptt -78.98 123.81 84.96 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.51 -0.768 . . . . 4.42 109.709 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.513 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 73.8 Cg_exo -53.51 128.76 30.67 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.799 2.999 . . . . 0.94 112.404 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -79.03 117.04 19.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.566 -0.743 . . . . 2.01 109.614 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -106.32 147.93 28.61 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.572 0.701 . . . . 2.24 112.012 -173.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 66.6 m-70 -102.83 153.86 19.76 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.566 -1.272 . . . . 0.6 107.566 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.414 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 33.3 ttm -135.88 128.83 31.32 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.12 -0.632 . . . . 0.73 110.977 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.87 137.74 53.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.94 110.307 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.4 t -106.99 134.38 50.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.715 0.293 . . . . 1.3 111.142 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.3 m-85 -113.29 179.8 3.86 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.321 -0.622 . . . . 0.32 109.321 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.52 20.07 7.98 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.523 . . . . 1.17 110.407 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.531 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 23.9 t-20 -147.24 129.9 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 1.62 110.379 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 18.6 mmm180 -68.26 -36.96 80.24 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 3.68 111.165 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.531 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 44.7 m -64.85 -46.89 79.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 0.5 110.809 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.72 -51.53 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 115.996 -0.547 . . . . 0.27 110.382 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.4 mtp -46.46 -64.28 0.8 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.37 0.419 . . . . 0.84 111.837 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.7 t70 -53.43 -38.89 63.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.513 0.508 . . . . 0.67 111.735 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.33 -61.11 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.092 0.245 . . . . 1.55 110.849 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.9 mm -54.33 -48.02 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.22 109.809 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' HD21 ' A' ' 60' ' ' LEU . 4.0 ttpp -47.65 -55.65 8.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.697 -0.683 . . . . 0.92 110.666 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.59 -51.46 62.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.883 -0.599 . . . . 1.41 111.324 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 107' ' ' ILE . 28.3 m -46.37 -54.46 9.0 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.893 0.745 . . . . 0.27 110.98 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -68.9 -51.14 43.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.057 -0.974 . . . . 1.03 109.667 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 11.9 tm0? -50.77 -46.96 59.71 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.123 -0.944 . . . . 1.72 111.787 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 54.6 mt-30 -67.95 -43.86 78.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.127 -0.488 . . . . 2.21 111.291 -177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 103' ' ' THR . 59.1 mt -64.47 -38.89 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.826 0.346 . . . . 0.39 110.279 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.0 mt -57.44 -45.32 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.4 110.109 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 42.2 t -63.72 -32.9 74.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.496 -0.775 . . . . 1.32 110.743 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 96.6 mtt180 -63.1 -34.46 77.64 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.66 -0.246 . . . . 2.87 110.847 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -88.13 -15.8 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.302 0.572 . . . . 2.75 110.501 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 60.6 mttt -71.61 -54.15 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.553 -0.749 . . . . 1.63 110.071 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.93 -36.85 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.655 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 17.94 10.79 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.38 -1.282 . . . . 1.33 112.618 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.758 -0.639 . . . . 2.23 110.509 179.512 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 111.59 0.218 . . . . 3.79 111.59 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -74.0 -54.67 7.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.729 0.3 . . . . 2.78 111.467 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 97.7 mt-30 -61.61 -29.47 70.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.475 . . . . 3.58 110.347 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.67 -31.94 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 2.67 110.367 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.54 -40.8 63.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.696 -0.684 . . . . 2.16 110.386 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.742 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 62.7 m-85 -60.76 -37.88 83.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 1.84 110.764 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 95.2 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 2.39 110.324 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -80.5 -50.12 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.636 . . . . 2.91 112.158 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.742 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 33.9 p-90 -72.84 -31.54 64.85 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.42 -0.512 . . . . 1.06 111.26 -174.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.543 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.3 t-105 -73.36 -47.29 43.47 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.26 -0.576 . . . . 1.02 110.071 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.477 ' HD2' ' OE1' ' B' ' 35' ' ' GLU . 20.5 tpt180 -65.24 -35.48 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 3.37 110.713 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -65.13 -39.0 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 1.9 110.757 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HA ' ' NE2' ' B' ' 37' ' ' GLN . 14.2 mt-10 -78.47 -25.12 45.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.648 -0.251 . . . . 2.32 111.293 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 41.3 mt-10 -62.13 -27.44 68.94 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.51 0.195 . . . . 3.14 111.034 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.0 -18.47 64.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.754 0.312 . . . . 2.58 111.074 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.525 ' NE2' ' HA ' ' B' ' 34' ' ' GLU . 1.8 mp0 -89.06 -20.13 24.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 3.65 110.693 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -97.3 -39.41 9.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 3.22 110.474 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 49.6 tpp 72.23 -59.36 0.56 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.958 0.903 . . . . 4.43 111.596 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.619 -1.101 . . . . 6.18 112.123 178.523 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.478 0.593 0 N-CA-C 110.819 -0.493 . . . . 3.6 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p 58.8 3.56 0.32 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.765 1.226 . . . . 1.99 113.944 174.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.07 -5.05 56.99 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.92 -0.487 . . . . 0.61 111.479 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 13.0 p -153.89 159.28 41.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.557 0.694 . . . . 0.28 112.341 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.25 152.51 9.38 Favored Glycine 0 CA--C 1.498 -1.024 0 CA-C-N 114.39 -1.277 . . . . 0.15 110.419 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.56 117.75 9.19 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.532 0.682 . . . . 0.19 111.7 -173.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.692 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.15 172.26 9.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.861 -1.063 . . . . 0.16 109.466 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -131.43 134.38 60.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 116.315 -0.402 . . . . 0.36 109.918 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 46.0 t80 -147.92 130.52 15.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.22 -0.659 . . . . 0.39 109.22 -175.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 49.9 mt-10 63.23 37.65 11.04 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.601 0.715 . . . . 1.33 110.917 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.17 4.4 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.663 -1.153 . . . . 2.23 113.443 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -108.33 148.78 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.679 -0.86 . . . . 0.26 108.679 171.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 8.2 m -97.06 154.81 17.1 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.547 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.98 -149.81 7.03 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.17 111.849 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.63 145.73 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.459 . . . . 0.18 109.762 174.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -99.9 132.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 107.073 -1.454 . . . . 0.17 107.073 171.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.36 110.8 6.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.931 0.395 . . . . 0.15 111.918 -170.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.6 mp -92.63 123.98 44.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.145 0.498 . . . . 0.23 110.069 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -115.02 128.09 56.06 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.423 -0.808 . . . . 1.36 111.463 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -120.62 71.99 0.94 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.076 -1.083 . . . . 1.47 108.076 166.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.08 -24.77 10.13 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 123.188 1.471 . . . . 3.67 108.1 165.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 27.1 m -107.12 -170.43 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 CA-C-N 111.756 -2.475 . . . . 0.9 111.245 -162.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.5 m -73.04 169.34 18.12 Favored Pre-proline 0 C--N 1.313 -0.983 0 N-CA-C 105.616 -1.994 . . . . 1.23 105.616 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -34.19 125.49 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.659 2.239 . . . . 0.56 113.745 -146.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -36.78 130.1 0.78 Allowed 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.445 -1.707 . . . . 0.27 112.769 -166.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.7 mt-10 -116.48 150.02 38.57 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.24 -0.584 . . . . 0.69 109.824 -176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -102.35 128.72 48.8 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.656 -0.868 . . . . 0.59 108.656 179.345 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.5 m -122.19 107.88 12.66 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 116.119 -0.491 . . . . 0.22 111.088 -170.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 86.3 t90 -90.42 119.98 31.15 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.089 -0.708 . . . . 0.22 109.089 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.847 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -121.46 124.84 45.43 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.75 -0.659 . . . . 1.93 110.25 177.163 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.429 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 95.2 p -58.3 150.4 22.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.247 -0.888 . . . . 0.27 109.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' HA2' ' A' ' 14' ' ' GLY . 23.7 p -49.75 -37.36 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.963 0.357 . . . . 0.97 111.963 -173.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -29.19 69.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.22 -0.446 . . . . 2.57 111.661 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.12 3.28 57.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.094 -0.574 . . . . 1.07 111.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.27 -62.62 1.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.12 0.486 . . . . 2.64 110.692 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 4.3 mttp -79.43 120.63 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.2 111.326 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.8 t -131.01 120.41 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.922 -0.769 . . . . 0.83 108.922 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' THR . 10.6 m80 -121.16 122.55 40.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.388 -0.597 . . . . 0.33 109.388 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.3 129.04 56.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.24 0.543 . . . . 0.32 111.59 -172.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.6 t -118.49 101.61 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.202 -0.908 . . . . 0.23 110.353 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -69.74 115.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.596 0.712 . . . . 0.63 109.384 176.157 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 mt -64.4 -15.71 61.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.903 -1.044 . . . . 1.24 112.971 -169.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.553 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 21.6 t -68.23 -17.44 64.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.672 0.272 . . . . 1.08 110.567 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -95.8 1.47 53.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.36 110.934 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.521 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 14.7 mm -102.21 140.59 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.36 111.043 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 22.9 t70 -104.19 -44.42 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.61 . . . . 0.7 111.239 -177.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 63' ' ' ILE . 46.8 tptt -133.07 167.02 21.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.202 0.525 . . . . 1.56 110.106 -175.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.98 130.98 23.13 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.544 -0.753 . . . . 1.37 109.694 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 16.1 mm-40 -124.95 155.38 39.69 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.611 -0.722 . . . . 2.28 110.265 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' MET . . . -149.02 163.75 36.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.244 -0.435 . . . . 0.43 110.155 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.5 146.53 91.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.845 0.355 . . . . 0.55 111.645 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -59.39 134.49 59.0 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.841 2.361 . . . . 1.1 111.921 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.15 56.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 1.58 111.449 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 p -74.77 -13.58 60.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.949 -0.569 . . . . 1.55 110.434 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -102.11 158.26 16.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.115 -0.698 . . . . 1.32 109.115 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -85.58 -36.32 20.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.139 -0.482 . . . . 2.37 110.941 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -69.32 145.03 53.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.29 111.213 -174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -116.66 119.16 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.844 -0.616 . . . . 1.13 110.685 -172.59 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ALA . 13.1 tpp -138.35 132.93 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.62 -0.263 . . . . 0.63 110.624 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -114.62 146.2 41.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.811 -0.44 . . . . 0.48 109.811 175.154 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.8 mtm180 -124.82 137.19 54.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.601 0.715 . . . . 2.37 111.586 171.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -102.96 102.79 12.86 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.086 -1.415 . . . . 0.7 108.709 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.1 mm -87.61 100.54 10.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 109.717 -0.475 . . . . 0.41 109.717 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -66.97 151.39 52.45 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.545 -0.836 . . . . 0.37 112.802 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 66.2 mttt -71.2 154.49 41.64 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 122.32 1.057 . . . . 1.16 112.103 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.519 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 16.1 m -120.54 146.06 25.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 113.145 -1.843 . . . . 1.48 110.542 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.497 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 5.3 m-20 -104.5 122.51 45.7 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.374 -0.973 . . . . 4.14 108.374 168.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.0 -19.49 64.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.185 -0.461 . . . . 4.61 110.937 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 p -84.42 -6.16 59.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.121 -0.491 . . . . 4.68 112.101 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.497 ' HD2' ' HB2' ' A' ' 67' ' ' ASP . 80.2 mttt -86.52 -32.61 20.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 6.99 110.293 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -92.42 155.21 18.02 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.104 -0.702 . . . . 8.2 109.104 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -96.64 149.66 21.54 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 122.183 0.992 . . . . 10.67 112.211 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.55 154.81 36.59 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.657 -1.61 . . . . 8.97 110.843 178.655 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -80.3 -175.83 5.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.87 -0.605 . . . . 8.74 109.491 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 11.37 111.172 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.12 6.13 30.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.136 -0.483 . . . . 11.2 111.385 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.403 ' HA2' ' HB2' ' A' ' 73' ' ' LYS . . . 60.52 32.91 79.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.675 -0.693 . . . . 8.81 112.9 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -47.14 -34.56 6.25 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.958 0.725 . . . . 8.6 112.958 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 46.1 mt-10 57.57 67.61 0.95 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.1 -0.704 . . . . 8.38 109.1 -172.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.08 148.33 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.029 -0.987 . . . . 5.39 111.121 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.99 125.43 58.83 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.585 -0.734 . . . . 4.27 109.728 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.519 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 58.0 Cg_endo -72.61 152.01 53.19 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.432 2.088 . . . . 2.92 111.832 -176.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.6 ptpp? -66.95 119.91 67.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.465 0.65 . . . . 4.42 110.795 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.548 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 51.1 Cg_exo -59.38 141.08 97.1 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 124.116 3.21 . . . . 0.94 113.67 -175.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -83.9 117.8 23.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.053 -0.721 . . . . 2.01 109.053 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.7 ptt180 -111.56 159.7 17.89 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.261 0.553 . . . . 2.24 111.86 -172.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 48.3 m-70 -116.53 146.59 42.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.3 -1.0 . . . . 0.6 108.3 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.5 ttm -127.94 129.89 47.55 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.051 -0.66 . . . . 0.73 111.257 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -125.47 136.96 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.052 0.453 . . . . 0.94 110.124 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.531 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 19.3 m -97.5 151.69 19.76 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.445 -0.798 . . . . 1.3 109.498 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.9 m-85 -128.45 178.53 6.22 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.042 -0.725 . . . . 0.32 109.042 168.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -134.35 30.72 3.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.78 -0.646 . . . . 1.17 110.155 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.437 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.6 t-20 -149.17 121.46 8.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.593 -0.892 . . . . 1.62 108.593 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.6 ttp180 -72.71 -26.71 61.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 3.68 111.177 -171.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.437 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 21.7 m -67.5 -47.01 71.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.315 -0.402 . . . . 0.5 110.388 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.9 t -49.98 -58.3 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 115.838 -0.619 . . . . 0.27 111.623 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.638 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 ptm -53.88 -48.08 70.42 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 120.803 -0.359 . . . . 0.84 111.805 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 97' ' ' MET . 18.2 t70 -60.8 -43.35 98.24 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 123.744 0.653 . . . . 0.67 111.672 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -63.89 -51.32 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.457 -0.338 . . . . 1.55 110.753 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.4 mm -58.1 -46.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.769 -0.65 . . . . 0.22 109.593 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 25.3 mtpt -42.51 -64.97 0.52 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.419 0.628 . . . . 0.92 111.707 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.2 ttp -57.91 -48.3 80.27 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.551 -1.204 . . . . 1.41 111.909 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 m -55.41 -48.05 74.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.486 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -71.56 -49.46 40.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.329 0.585 . . . . 1.03 109.524 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.25 -51.41 54.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.53 -1.214 . . . . 1.72 111.782 -177.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -67.23 -43.16 82.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.875 0.324 . . . . 2.21 111.875 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 103' ' ' THR . 64.7 mt -62.26 -41.07 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.007 -0.368 . . . . 0.39 110.007 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.95 -51.86 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.4 110.562 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -64.42 -23.35 67.25 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.706 -0.679 . . . . 1.32 111.451 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.8 -31.04 56.7 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 120.992 0.425 . . . . 2.87 110.115 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -87.19 -16.84 34.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 2.75 109.954 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -75.43 -60.1 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.458 -0.792 . . . . 1.63 109.57 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.22 -29.18 67.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.747 -1.115 . . . . 1.6 110.954 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 60.88 24.49 14.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 114.903 -1.044 . . . . 1.33 111.083 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.357 -0.838 . . . . 2.23 110.57 -177.526 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.583 0.23 . . . . 3.79 111.085 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -66.84 -51.23 58.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.869 0.322 . . . . 2.78 111.869 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 65.1 tt0 -68.53 -27.51 66.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.419 . . . . 3.58 110.011 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.77 -38.73 86.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 2.67 110.342 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.49 -47.25 86.25 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.977 -0.556 . . . . 2.16 110.652 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.589 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 53.6 m-85 -62.21 -24.46 67.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 1.84 111.569 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 90.1 mt -78.85 -51.32 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 2.39 110.584 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -42.26 59.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 2.91 112.4 -173.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.589 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.8 p-90 -67.14 -34.09 76.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.742 -0.383 . . . . 1.06 110.783 -173.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -40.21 79.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.149 0.5 . . . . 1.02 110.055 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.82 -25.27 61.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.903 -0.59 . . . . 3.37 110.404 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 37' ' ' GLN . 34.0 t -69.72 -45.18 68.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.9 109.752 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 46.9 mm-40 -65.06 -42.69 93.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 2.32 110.387 177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.16 -35.82 74.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.821 -0.627 . . . . 3.14 110.163 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.03 77.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.632 -0.713 . . . . 2.58 110.984 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' B' ' 33' ' ' SER . 12.5 mm100 -66.55 -30.83 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 3.65 110.843 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.57 -32.9 68.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.14 0.495 . . . . 3.22 110.156 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ttt -73.14 -45.77 54.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.589 -0.732 . . . . 4.43 110.527 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.943 -0.92 . . . . 6.18 112.068 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.478 0.582 0 N-CA-C 110.5 -0.615 . . . . 3.6 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.62 ' HA ' ' OD1' ' A' ' 99' ' ' ASN . 11.8 p -131.79 143.14 49.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.095 -0.335 . . . . 1.99 110.095 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 2' ' ' SER . 35.2 m80 70.61 -16.36 0.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.292 0.637 . . . . 0.61 111.384 -174.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 15.9 p -147.41 167.12 25.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.387 0.613 . . . . 0.28 111.313 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.2 149.53 6.57 Favored Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 114.562 -1.199 . . . . 0.15 110.266 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.8 120.28 13.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.416 0.627 . . . . 0.19 111.119 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.3 172.78 10.31 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.157 -0.929 . . . . 0.16 109.693 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.06 133.68 62.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 109.95 -0.389 . . . . 0.36 109.95 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 49.4 t80 -149.9 136.89 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.899 -0.778 . . . . 0.39 108.899 -175.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.614 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 44.6 mt-10 62.21 34.3 16.17 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.319 0.581 . . . . 1.33 111.184 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.2 11.87 5.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.663 -1.153 . . . . 2.23 112.554 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HH2' ' A' ' 29' ' ' TRP . 1.8 p -116.81 149.0 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.778 -0.823 . . . . 0.26 108.778 172.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.9 m -91.57 154.1 19.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.155 0.502 . . . . 1.29 111.717 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.531 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -169.71 -154.51 9.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.501 -0.772 . . . . 0.17 111.898 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -121.97 145.75 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.454 -0.572 . . . . 0.18 109.454 172.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.44 132.65 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 107.256 -1.387 . . . . 0.17 107.256 170.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.3 106.64 5.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.323 0.49 . . . . 0.15 112.323 -170.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 mp -86.44 119.21 34.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.651 -0.499 . . . . 0.23 109.651 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -108.09 124.27 49.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.624 -0.716 . . . . 1.36 111.27 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.24 71.66 0.87 Allowed 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.861 -1.163 . . . . 1.47 107.861 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -112.91 -24.1 9.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 122.866 1.317 . . . . 3.67 108.419 165.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.24 -170.42 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 112.394 -2.185 . . . . 0.9 111.65 -162.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.461 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 61.6 m -74.33 170.91 12.78 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 105.939 -1.874 . . . . 1.23 105.939 172.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 52.3 Cg_exo -33.69 125.81 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.524 2.15 . . . . 0.56 113.691 -143.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.67 131.78 1.73 Allowed 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 113.865 -1.516 . . . . 0.27 112.216 -167.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.89 147.48 42.16 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.327 -176.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -102.32 128.69 48.78 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.606 -0.887 . . . . 0.59 108.606 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.1 m -120.38 107.35 12.81 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.279 -0.419 . . . . 0.22 110.88 -173.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 84.0 t90 -89.17 122.55 32.57 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.179 -1.045 . . . . 0.22 108.179 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.896 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -133.23 127.72 34.33 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.51 0.671 . . . . 1.93 111.09 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.5 p -60.42 142.74 54.62 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.113 -1.403 . . . . 0.27 109.81 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' HA2' ' A' ' 14' ' ' GLY . 13.5 p -56.34 -23.21 35.83 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.756 0.66 . . . . 0.97 111.954 -173.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.42 -27.34 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 2.57 111.116 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.63 -1.02 56.8 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.166 -0.54 . . . . 1.07 112.393 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.93 -62.91 1.43 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.742 0.306 . . . . 2.64 111.694 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 8.9 mttp -75.99 129.72 37.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.2 111.409 -178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -141.37 124.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.94 -0.763 . . . . 0.83 108.94 176.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m80 -128.35 122.64 31.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.8 -0.444 . . . . 0.33 109.8 -177.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.41 120.1 40.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.374 0.606 . . . . 0.32 112.152 -170.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -108.83 102.12 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.105 -0.952 . . . . 0.23 110.491 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.19 117.15 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.323 0.583 . . . . 0.63 109.461 175.835 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 2.7 mm? -51.25 -27.59 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.009 -0.996 . . . . 1.24 113.636 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 13.9 t -61.38 -16.59 47.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 1.08 111.494 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -102.19 3.48 38.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.36 110.639 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 22.4 mm -98.91 140.24 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.36 110.647 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -99.23 -44.23 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.943 -0.571 . . . . 0.7 110.478 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 47.8 tptt -144.56 175.14 10.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 1.56 109.774 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.657 HD21 ' HG2' ' A' ' 105' ' ' GLN . 2.4 pt? -140.86 153.66 45.83 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.582 -0.895 . . . . 1.37 108.582 168.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.57 140.04 40.77 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.908 -0.404 . . . . 2.28 109.908 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.17 150.93 49.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.211 -0.449 . . . . 0.43 110.631 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.584 HG21 ' CH2' ' B' ' 30' ' ' TRP . 4.5 p -69.82 147.1 96.06 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.55 112.119 -176.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' HG3' ' HB3' ' B' ' 34' ' ' GLU . 16.1 Cg_endo -55.84 140.87 85.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.836 3.024 . . . . 1.1 112.458 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.61 -18.76 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 1.58 111.336 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -31.98 68.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.987 -0.551 . . . . 1.55 110.173 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -83.7 143.52 29.99 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.795 -0.638 . . . . 1.32 110.407 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.2 -42.3 38.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.191 -0.459 . . . . 2.37 110.98 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -61.27 133.58 56.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.473 0.654 . . . . 2.29 110.772 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.587 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 23.5 mtm -107.74 115.09 29.52 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.831 -1.077 . . . . 1.13 111.217 -167.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.477 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.9 tpp -143.06 139.83 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.63 111.778 -172.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD11 ' HG3' ' A' ' 101' ' ' LYS . 1.0 OUTLIER -121.01 145.74 47.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.704 -0.48 . . . . 0.48 109.704 168.769 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -112.89 151.35 30.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.827 -0.624 . . . . 2.37 110.564 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -114.42 105.68 13.41 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.732 -1.21 . . . . 0.7 107.732 174.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.4 mm -88.31 97.79 7.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.444 -0.947 . . . . 0.41 108.444 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -76.73 151.17 39.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.427 -0.892 . . . . 0.37 112.643 -173.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -64.3 156.74 28.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.814 0.816 . . . . 1.16 112.017 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 17.3 m -114.99 167.13 7.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.498 -1.228 . . . . 1.48 110.281 -177.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.3 98.64 8.99 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.703 -0.681 . . . . 4.14 109.969 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.57 -42.76 97.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.929 -0.578 . . . . 4.61 111.46 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 p -71.28 -21.39 62.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 4.68 111.878 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -72.75 -34.18 66.85 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.909 0.385 . . . . 6.99 110.645 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -92.77 158.73 15.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.614 0.721 . . . . 8.2 111.606 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -126.58 161.46 27.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.676 -1.147 . . . . 10.67 110.222 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -75.33 167.97 20.9 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.725 -0.67 . . . . 8.97 110.38 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.41 -173.47 4.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.848 -0.615 . . . . 8.74 109.643 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' OD1' ' HG3' ' A' ' 76' ' ' GLU . 30.2 p30 -67.88 -15.97 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.357 0.526 . . . . 11.37 111.528 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HG3' ' OD1' ' A' ' 75' ' ' ASN . 44.9 mt-10 -102.35 13.26 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.923 0.392 . . . . 11.2 110.547 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.12 43.47 95.24 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 115.791 -0.64 . . . . 8.81 111.621 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -59.43 -39.02 82.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.539 0.57 . . . . 8.6 112.539 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 56.3 77.95 0.23 Allowed 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.949 -0.76 . . . . 8.38 108.949 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.78 148.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.016 -0.993 . . . . 5.39 110.308 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 p -80.07 128.74 72.61 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.124 -0.489 . . . . 4.27 110.565 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.7 146.04 23.53 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.706 2.271 . . . . 2.92 111.412 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 56.0 mttp -64.62 115.84 23.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.545 0.688 . . . . 4.42 111.137 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.498 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 50.4 Cg_exo -59.54 143.87 99.57 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 C-N-CA 124.328 3.352 . . . . 0.94 112.792 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.52 114.91 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.509 . . . . 2.01 109.863 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.548 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.4 mtt180 -102.85 142.85 33.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.726 0.774 . . . . 2.24 112.941 -173.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 29.4 m-70 -116.7 140.25 49.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.293 -1.373 . . . . 0.6 107.293 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.0 ttm -128.07 131.25 49.1 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.147 -0.621 . . . . 0.73 110.78 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CE1' HD23 ' A' ' 62' ' ' LEU . 16.6 m-85 -128.99 137.42 51.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.94 110.499 -177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.63 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 36.8 m -100.07 131.74 45.85 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.842 -0.617 . . . . 1.3 111.337 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 88.1 m-85 -113.38 176.98 4.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.132 0.492 . . . . 0.32 110.63 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -137.43 14.89 2.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.263 -0.88 . . . . 1.17 111.336 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.22 142.15 39.96 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.113 0.482 . . . . 1.62 110.389 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.587 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 28.7 mmt-85 -70.7 -42.82 70.16 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.339 -0.846 . . . . 3.68 111.372 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 m -64.97 -47.22 78.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.951 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.5 t -46.35 -51.39 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.576 0.548 . . . . 0.27 111.266 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 3.9 mtp -44.52 -60.09 2.13 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 112.303 0.483 . . . . 0.84 112.303 174.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 18.6 t70 -69.87 -34.03 73.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.297 -173.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.62 ' OD1' ' HA ' ' A' ' 2' ' ' SER . 8.6 t-20 -69.35 -52.48 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.078 -0.342 . . . . 1.55 110.078 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -59.32 -40.51 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.22 109.841 175.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 60' ' ' LEU . 2.4 mtmt -50.66 -64.89 0.67 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.92 110.536 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.2 ttm -55.47 -50.3 70.23 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.617 -1.174 . . . . 1.41 111.744 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -49.23 -57.82 6.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.27 111.218 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.19 -55.91 26.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 1.03 111.116 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.657 ' HG2' HD21 ' A' ' 48' ' ' LEU . 16.4 tm0? -44.05 -54.53 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.846 -1.07 . . . . 1.72 112.621 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 91.7 mt-30 -63.9 -44.83 91.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.741 -0.209 . . . . 2.21 110.993 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 25' ' ' ALA . 75.9 mt -62.75 -44.64 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.848 0.356 . . . . 0.39 110.59 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.602 HD12 HD22 ' A' ' 48' ' ' LEU . 89.0 mt -54.75 -44.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.188 0.518 . . . . 0.4 110.461 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -69.76 -30.62 68.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.32 110.888 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.4 mtt180 -62.13 -33.2 74.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.207 0.527 . . . . 2.87 110.65 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CE2' HG22 ' A' ' 107' ' ' ILE . 25.1 m-85 -86.82 -10.97 52.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 2.75 110.25 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -86.14 -50.01 7.33 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.284 -0.871 . . . . 1.63 110.638 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.82 -37.97 73.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.661 . . . . 1.6 109.335 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 61.55 16.63 7.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 114.277 -1.329 . . . . 1.33 113.062 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.922 -0.561 . . . . 2.23 110.29 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.281 0.086 . . . . 3.79 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.512 0.56 . . . . 2.78 112.512 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -67.98 -27.81 66.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 3.58 110.531 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.55 -29.97 41.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 2.67 110.411 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -58.06 -34.31 69.98 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.071 -0.513 . . . . 2.16 110.539 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.688 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 60.5 m-85 -67.97 -14.42 62.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 1.84 111.744 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -90.88 -40.18 11.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.139 -0.689 . . . . 2.39 109.139 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -65.84 -50.4 64.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 2.91 112.262 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.688 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.8 p-90 -69.01 -22.14 64.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.159 0.504 . . . . 1.06 111.025 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.433 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 0.8 OUTLIER -75.55 -44.74 41.85 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.205 -178.512 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' B' ' 35' ' ' GLU . 82.0 mtt180 -88.9 -17.45 29.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.743 -0.662 . . . . 3.37 112.108 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 60.0 p -70.73 -45.74 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.469 -0.567 . . . . 1.9 109.469 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 52' ' ' PRO . 26.3 mm-40 -68.97 -28.71 66.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.098 -0.501 . . . . 2.32 110.598 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 44.2 tt0 -65.4 -35.01 79.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.165 -0.47 . . . . 3.14 110.231 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 39' ' ' MET . . . -70.67 -16.81 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 2.58 111.373 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -63.78 -26.61 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 3.65 110.641 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -72.79 -12.76 61.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.22 111.658 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 36' ' ' ALA . 26.6 ptt? -116.17 16.64 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.115 0.483 . . . . 4.43 110.055 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.628 -1.096 . . . . 6.18 111.844 -178.929 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.481 0.793 0 N-CA-C 111.129 -0.374 . . . . 3.6 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -103.05 135.57 44.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 1.99 110.533 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.5 m80 60.94 7.31 1.46 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.723 -0.671 . . . . 0.61 112.343 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.8 p -166.95 165.31 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.28 111.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.08 148.91 6.1 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 114.723 -1.126 . . . . 0.15 110.44 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.44 116.3 8.03 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.291 0.567 . . . . 0.19 111.614 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.93 164.01 21.71 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.264 -0.88 . . . . 0.16 109.778 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -124.13 139.33 50.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.633 -0.506 . . . . 0.36 109.633 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -143.53 117.81 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.67 0.271 . . . . 0.39 110.826 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 49.47 64.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.488 -0.778 . . . . 1.33 112.851 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.63 3.43 4.67 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.388 -1.278 . . . . 2.23 113.897 170.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.8 p -126.64 146.16 32.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.044 0.449 . . . . 0.26 110.019 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.673 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.5 m -96.74 158.92 15.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.655 -0.702 . . . . 1.29 111.246 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -177.18 -149.16 7.61 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.026 -0.607 . . . . 0.17 112.689 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.91 147.37 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 123.498 0.719 . . . . 0.18 109.124 174.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.73 131.67 47.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.157 -1.423 . . . . 0.17 107.157 169.261 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.45 121.96 16.2 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.731 0.301 . . . . 0.15 111.164 -172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 HD11 ' A' ' 104' ' ' LEU . 2.5 mp -98.65 125.74 51.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.048 0.928 . . . . 0.23 112.605 -173.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.529 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 14.4 m-20 -82.68 151.6 26.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.366 -1.743 . . . . 1.36 110.256 174.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' VAL . 27.6 mt-10 -121.24 -135.23 0.31 Allowed 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 126.402 1.881 . . . . 1.47 108.111 -169.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -47.45 24.14 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 128.781 2.832 . . . . 3.67 115.889 -169.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' GLU . 29.6 m -96.33 -167.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 N-CA-C 106.32 -1.733 . . . . 0.9 106.32 172.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -69.53 144.86 94.72 Favored Pre-proline 0 C--N 1.312 -1.057 0 N-CA-C 105.225 -2.139 . . . . 1.23 105.225 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 80.8 Cg_exo -34.04 126.76 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.182 2.588 . . . . 0.56 114.167 -143.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.711 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -29.27 121.34 0.14 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.192 -1.822 . . . . 0.27 112.339 -166.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -114.58 138.03 51.15 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.067 -0.515 . . . . 0.69 110.322 -170.161 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD13 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -101.35 125.57 48.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.618 0.723 . . . . 0.59 109.265 -178.323 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 5.9 m -114.79 107.53 15.56 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.372 -0.831 . . . . 0.22 110.637 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 69.8 t90 -87.93 123.96 33.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.214 -1.402 . . . . 0.22 107.214 167.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.719 ' CB ' HG22 ' A' ' 37' ' ' VAL . 10.5 ptt180 -133.25 138.27 46.4 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 121.454 0.645 . . . . 1.93 110.167 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 97.0 p -68.58 156.92 37.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.633 -1.167 . . . . 0.27 110.781 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 HG23 ' HA2' ' A' ' 14' ' ' GLY . 12.7 p -58.58 -23.23 58.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.375 -0.83 . . . . 0.97 113.062 -170.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.08 -20.14 35.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.036 0.446 . . . . 2.57 111.003 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.66 7.02 69.45 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.768 -0.651 . . . . 1.07 111.507 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.72 -64.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 2.64 110.895 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 tttt -78.57 130.22 35.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 116.012 -0.54 . . . . 1.2 110.199 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 ' CB ' ' A' ' 30' ' ' ARG . 4.0 t -147.13 129.15 6.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.622 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.594 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m-70 -131.24 129.18 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.437 -0.579 . . . . 0.33 109.437 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.78 117.17 29.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.61 . . . . 0.32 111.559 -172.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 57.2 t -103.39 101.11 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 0.23 111.051 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -69.13 115.75 8.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.041 -0.725 . . . . 0.63 109.041 174.432 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 45' ' ' ILE . 45.0 mt -65.05 -14.64 60.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.349 0.87 . . . . 1.24 113.349 -168.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 17.2 t -66.52 -14.79 62.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 1.08 110.712 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -100.04 5.78 45.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.36 111.056 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 25.8 mm -101.84 147.56 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 116.174 -0.466 . . . . 0.36 111.457 -178.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 38.5 t70 -114.97 -40.58 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.7 111.876 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.5 tmtt? -135.26 174.48 10.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.298 0.571 . . . . 1.56 110.338 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -144.18 140.41 29.31 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.631 -0.878 . . . . 1.37 108.631 174.726 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 99.2 mt-30 -128.26 142.75 51.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.42 -0.355 . . . . 2.28 110.354 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -144.32 145.59 32.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.814 -0.63 . . . . 0.43 109.518 -176.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p -61.48 134.55 93.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.11 0.481 . . . . 0.55 111.941 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.4 161.53 20.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.501 2.801 . . . . 1.1 112.016 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -22.04 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 1.58 111.352 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 1.55 110.774 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -84.2 130.73 34.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.999 -0.546 . . . . 1.32 110.254 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -40.19 60.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.677 -0.692 . . . . 2.37 111.072 176.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -67.05 147.11 53.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.731 -0.668 . . . . 2.29 111.127 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.1 mpt? -102.03 113.43 26.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.403 -0.817 . . . . 1.13 110.833 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -143.85 139.06 29.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 0.63 110.971 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.67 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -123.72 152.2 42.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.809 -0.632 . . . . 0.48 109.539 171.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 86.2 mtt180 -128.48 145.94 50.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.206 0.527 . . . . 2.37 111.323 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.8 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -108.05 106.18 16.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.01 -0.996 . . . . 0.7 108.835 171.421 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 11.0 mm -88.88 100.22 10.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.87 -0.332 . . . . 0.41 110.211 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.74 152.64 50.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.769 -0.729 . . . . 0.37 112.457 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 56.7 mttt -62.78 153.67 32.14 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.726 0.774 . . . . 1.16 112.259 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 12.0 m -113.89 132.83 61.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.109 0 CA-C-N 114.369 -1.287 . . . . 1.48 109.502 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -75.58 89.65 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.247 0.546 . . . . 4.14 111.012 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -39.28 93.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.191 -0.913 . . . . 4.61 111.747 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.0 p -72.67 -25.17 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.194 -0.457 . . . . 4.68 111.235 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -95.07 -14.28 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.278 -0.419 . . . . 6.99 110.671 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' A' ' 82' ' ' PRO . 41.1 mmtt -75.37 153.24 37.89 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.092 -0.504 . . . . 8.2 110.71 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -115.78 147.84 40.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.808 0.814 . . . . 10.67 112.355 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.526 ' CB ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.87 166.78 14.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.181 -1.372 . . . . 8.97 111.323 178.638 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -91.87 -166.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.863 -0.608 . . . . 8.74 109.841 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -60.62 -31.4 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.47 0.544 . . . . 11.37 112.47 -171.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -98.19 23.17 8.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.246 -0.284 . . . . 11.2 111.729 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.62 38.84 94.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.638 -0.791 . . . . 8.81 111.188 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -51.33 -40.79 59.81 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.362 0.665 . . . . 8.6 112.073 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' H ' ' CB ' ' A' ' 73' ' ' LYS . 43.2 mt-10 53.26 64.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.449 -0.574 . . . . 8.38 109.449 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 m -76.22 141.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 5.39 111.251 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.05 121.38 81.93 Favored Pre-proline 0 N--CA 1.442 -0.857 0 N-CA-C 109.119 -0.697 . . . . 4.27 109.119 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.443 ' HG3' ' HG3' ' A' ' 71' ' ' LYS . 98.1 Cg_endo -81.73 171.31 13.35 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.02 2.48 . . . . 2.92 112.439 -174.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 58.1 pttt -82.43 118.64 72.59 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-O 121.549 0.69 . . . . 4.42 110.048 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 31.7 Cg_exo -64.66 140.05 66.42 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 C-N-CA 123.66 2.907 . . . . 0.94 112.869 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -73.79 115.54 13.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.638 -0.875 . . . . 2.01 108.638 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -124.55 155.1 39.59 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.281 0.563 . . . . 2.24 111.891 -172.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 57.9 m80 -109.85 141.98 41.79 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.445 -0.946 . . . . 0.6 108.445 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.0 ttm -126.55 124.78 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.585 0.629 . . . . 0.73 111.676 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.8 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.2 m-85 -115.56 142.24 46.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.736 -0.666 . . . . 0.94 111.397 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.534 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 49.3 m -111.51 121.98 46.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.751 -0.659 . . . . 1.3 111.17 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 74.4 m-85 -111.95 178.45 4.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.975 -0.75 . . . . 0.32 108.975 173.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.0 p30 -136.0 28.01 3.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.301 0.572 . . . . 1.17 110.249 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.508 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 21.3 t-20 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.82 -0.808 . . . . 1.62 108.82 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.6 -27.48 55.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 3.68 110.47 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.508 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 80.9 m -66.38 -49.71 65.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.5 110.181 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 91' ' ' PHE . 41.8 t -49.63 -51.56 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 115.746 -0.661 . . . . 0.27 110.31 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.659 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 7.1 mtp -44.6 -64.62 0.66 Allowed 'General case' 0 C--O 1.218 -0.555 0 O-C-N 123.648 0.592 . . . . 0.84 112.192 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.13 -36.14 72.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.673 0.273 . . . . 0.67 111.44 -173.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -70.6 -54.95 10.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 1.55 110.849 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -57.27 -46.22 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 0.22 109.81 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.67 ' HG2' HD11 ' A' ' 60' ' ' LEU . 45.0 mtpt -46.31 -64.39 0.77 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.92 110.67 175.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtm -59.15 -47.98 83.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.644 -1.162 . . . . 1.41 112.067 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 107' ' ' ILE . 99.8 m -51.02 -51.56 51.87 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.343 0.592 . . . . 0.27 111.096 -177.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.9 mp -72.73 -50.68 23.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.218 -0.901 . . . . 1.03 109.095 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.0 tm0? -50.63 -51.94 44.19 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.549 -1.205 . . . . 1.72 111.805 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 19.9 mm-40 -66.29 -42.77 87.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.289 -0.414 . . . . 2.21 112.082 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 25' ' ' ALA . 66.2 mt -65.15 -41.36 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.321 -0.552 . . . . 0.39 110.1 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mt -53.0 -51.02 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 0.4 110.204 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 35.6 m -66.77 -25.32 66.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.315 -0.857 . . . . 1.32 111.795 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.1 mtt180 -67.02 -31.29 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 2.87 110.247 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.31 -15.35 40.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.396 0.617 . . . . 2.75 110.0 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 43.6 mttm -84.1 -46.55 11.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.505 -0.77 . . . . 1.63 110.58 175.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.49 -38.16 71.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.839 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.16 25.55 11.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.174 -1.375 . . . . 1.33 113.004 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.436 -0.792 . . . . 2.23 110.015 176.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.612 0.244 . . . . 3.79 111.232 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.435 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 5.3 p -70.43 -55.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.87 0.322 . . . . 2.78 111.87 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.56 -27.82 68.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.033 0.444 . . . . 3.58 109.909 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' B' ' 29' ' ' LYS . 7.0 m-20 -63.75 -44.55 93.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.522 -0.763 . . . . 2.67 110.268 177.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -56.57 -49.64 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.375 -0.83 . . . . 2.16 110.453 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' B' ' 23' ' ' THR . 69.8 m-85 -67.43 -13.18 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 1.84 112.339 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 tp -94.88 -51.22 4.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.731 0.3 . . . . 2.39 110.799 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 21.0 ptmt -75.79 -30.99 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.402 0.519 . . . . 2.91 112.402 -172.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.5 p-90 -65.05 -22.99 67.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.192 0.52 . . . . 1.06 110.711 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -83.32 -19.75 35.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.934 -0.576 . . . . 1.02 110.201 -179.358 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -96.6 -34.74 11.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.724 -0.671 . . . . 3.37 110.689 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' B' ' 37' ' ' GLN . 23.9 p -60.8 -48.58 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 1.9 111.351 -176.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -34.02 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.543 -0.298 . . . . 2.32 111.787 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.3 -30.71 69.77 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.573 -0.451 . . . . 3.14 110.083 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -28.4 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 2.58 110.409 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 33' ' ' SER . 97.4 mt-30 -69.64 -35.55 75.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 3.65 111.418 -177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.98 -8.29 40.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.996 0.427 . . . . 3.22 110.486 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.93 -38.98 44.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.596 . . . . 4.43 110.424 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 CA-C-O 118.084 -1.398 . . . . 6.18 111.308 -179.452 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.488 ' HB2' ' O ' ' A' ' 4' ' ' SER . 6.9 Cg_endo . . . . . 0 N--CA 1.478 0.561 0 N-CA-C 110.203 -0.73 . . . . 3.6 110.203 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -128.32 -42.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.026 0.441 . . . . 1.99 110.923 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -81.37 -13.91 57.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.61 110.873 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 20.4 p -142.6 166.7 23.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.413 0.625 . . . . 0.28 112.384 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.28 148.53 6.4 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.595 -1.184 . . . . 0.15 110.535 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.656 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.67 119.3 11.54 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.377 0.608 . . . . 0.19 112.048 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -128.31 174.27 9.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.959 -1.019 . . . . 0.16 109.96 -177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.653 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.49 137.26 55.74 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 116.392 -0.367 . . . . 0.36 110.086 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.4 t80 -148.42 129.16 14.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.088 -0.708 . . . . 0.39 109.088 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.5 mt-10 66.32 36.53 5.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.209 0.528 . . . . 1.33 111.01 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt 65.88 -2.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.903 -1.044 . . . . 2.23 113.094 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -101.35 148.46 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.84 -0.8 . . . . 0.26 108.84 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.653 ' HA ' HG13 ' A' ' 8' ' ' ILE . 6.9 m -100.52 153.78 19.09 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.793 -0.64 . . . . 1.29 111.71 -173.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.01 -148.78 6.67 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.909 -0.587 . . . . 0.17 112.376 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.7 146.2 27.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.849 -0.426 . . . . 0.18 109.849 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.25 133.38 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 107.267 -1.383 . . . . 0.17 107.267 171.073 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.32 106.54 5.24 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.325 0.491 . . . . 0.15 112.325 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.9 mp -86.57 122.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.799 -0.445 . . . . 0.23 109.799 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -112.54 120.79 42.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.833 -0.622 . . . . 1.36 111.288 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.68 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 29.4 mt-10 -117.29 72.6 0.84 Allowed 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 107.758 -1.201 . . . . 1.47 107.758 167.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.09 -24.27 9.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 122.956 1.36 . . . . 3.67 108.367 165.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.71 -168.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 112.039 -2.346 . . . . 0.9 111.953 -161.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.529 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 12.2 p -73.31 169.91 16.13 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 105.9 -1.889 . . . . 1.23 105.9 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 53.0 Cg_exo -34.44 126.01 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.583 2.189 . . . . 0.56 113.621 -145.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -38.4 131.42 1.21 Allowed 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 113.641 -1.618 . . . . 0.27 112.448 -167.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -117.1 145.61 43.66 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.436 -0.505 . . . . 0.69 110.002 -176.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.31 129.71 48.82 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.488 -0.93 . . . . 0.59 108.488 179.31 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.4 m -121.91 108.29 13.26 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 116.118 -0.492 . . . . 0.22 110.786 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 82.3 t90 -87.06 126.31 34.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.952 -1.129 . . . . 0.22 107.952 171.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.926 ' HB3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -137.48 127.62 26.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.569 0.699 . . . . 1.93 111.528 179.375 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.51 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.2 p -57.94 151.58 17.98 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.958 -1.474 . . . . 0.27 110.687 -175.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.8 p -57.18 -27.07 61.61 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.563 -0.744 . . . . 0.97 112.391 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.19 -29.15 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 2.57 110.83 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.82 5.12 58.73 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.025 -0.607 . . . . 1.07 112.23 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -82.93 -58.15 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.107 0.48 . . . . 2.64 111.561 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.69 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 9.4 tttt -88.29 119.57 28.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.599 . . . . 1.2 110.736 -175.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.926 HG12 ' HB3' ' A' ' 30' ' ' ARG . 24.4 m -128.41 145.41 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.004 -0.739 . . . . 0.83 109.004 174.035 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.69 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 18.3 m-70 -140.13 125.33 18.74 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.616 -0.883 . . . . 0.33 108.616 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 124.38 51.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.466 0.65 . . . . 0.32 112.403 -169.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 45' ' ' ILE . 29.6 t -113.09 102.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.83 -1.077 . . . . 0.23 110.396 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.5 118.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.479 -0.563 . . . . 0.63 109.479 175.396 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 1.9 mm? -53.02 -28.19 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.969 1.1 . . . . 1.24 113.969 -172.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 9.6 t -65.9 -11.38 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 1.08 111.032 -176.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -98.7 4.8 47.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.36 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 18.6 mm -100.26 137.25 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 121.406 0.622 . . . . 0.36 111.916 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 29.5 t70 -99.28 -46.14 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.157 -0.928 . . . . 0.7 110.767 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB3' HG13 ' A' ' 63' ' ' ILE . 48.2 tptt -137.28 171.18 14.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.155 0.502 . . . . 1.56 110.677 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -142.54 130.68 22.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.009 -0.737 . . . . 1.37 109.009 175.787 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.6 mm-40 -125.79 144.52 50.6 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.983 -0.553 . . . . 2.28 110.751 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -138.9 142.22 38.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.43 110.446 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.591 HG21 ' CH2' ' B' ' 30' ' ' TRP . 6.9 p -71.17 154.71 93.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.991 0.424 . . . . 0.55 111.779 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HG3' ' HG2' ' B' ' 34' ' ' GLU . 52.5 Cg_endo -65.27 148.27 88.46 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.409 2.74 . . . . 1.1 112.395 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -22.73 66.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 1.58 110.545 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 p -69.28 -20.93 63.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.691 -0.686 . . . . 1.55 110.896 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -93.66 142.35 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.478 -0.934 . . . . 1.32 108.478 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 4.5 tt0 -68.36 -46.93 68.77 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 120.797 -0.361 . . . . 2.37 111.142 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -72.52 101.46 2.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.707 0.765 . . . . 2.29 110.77 -170.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.719 ' HB2' ' SD ' ' A' ' 97' ' ' MET . 1.8 ptp -84.91 119.33 25.23 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.597 -1.183 . . . . 1.13 110.55 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 6.8 tpp -133.59 148.44 51.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.022 -0.99 . . . . 0.63 110.927 -167.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -123.09 146.14 47.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.022 0.439 . . . . 0.48 110.241 170.347 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 93.7 mtt180 -119.55 143.73 47.45 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.702 -0.681 . . . . 2.37 111.09 172.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -109.55 103.06 11.87 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.69 -1.141 . . . . 0.7 107.998 174.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.3 mm -87.99 100.27 10.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.447 -0.575 . . . . 0.41 109.447 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -78.2 143.26 27.15 Favored Glycine 0 C--N 1.321 -0.265 0 C-N-CA 120.56 -0.828 . . . . 0.37 113.326 -173.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 15.8 mtpt -67.67 132.16 46.97 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.199 0.523 . . . . 1.16 109.856 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 1.8 p -118.4 105.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 115.559 -0.746 . . . . 1.48 111.258 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 9.4 p-10 -110.92 74.45 0.87 Allowed 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.969 -0.693 . . . . 4.14 111.736 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -89.84 -53.25 4.58 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.615 -0.678 . . . . 4.61 111.093 174.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.6 p -98.85 1.96 46.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.361 -0.836 . . . . 4.68 111.197 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 67' ' ' ASP . 10.2 mptt -82.62 12.25 4.87 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.705 0.764 . . . . 6.99 111.947 -163.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -51.32 164.84 0.17 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.018 -1.446 . . . . 8.2 108.82 159.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 169.5 0.09 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.595 0.591 . . . . 10.67 112.595 -167.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.0 148.49 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.576 0.703 . . . . 8.97 111.59 -165.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB3' ' CG ' ' A' ' 78' ' ' ASN . 36.5 t0 -77.76 -176.28 4.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.558 -1.201 . . . . 8.74 110.151 -176.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -56.31 -32.36 64.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.039 0.755 . . . . 11.37 113.039 -172.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -94.52 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 11.2 111.2 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.47 45.9 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.263 -0.735 . . . . 8.81 111.263 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.436 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 2.5 m-20 -55.4 -59.2 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.387 0.514 . . . . 8.6 112.387 -174.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.93 75.58 0.27 Allowed 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 107.767 -1.197 . . . . 8.38 107.767 -167.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 m -74.8 127.33 36.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.307 -0.86 . . . . 5.39 111.495 -162.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -67.84 124.08 88.58 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 4.27 110.711 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.44 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 73.4 Cg_endo -81.11 134.52 9.3 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.851 2.368 . . . . 2.92 114.044 -175.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 88.0 mttt -104.36 102.34 32.67 Favored Pre-proline 0 N--CA 1.444 -0.742 0 CA-C-O 122.024 0.916 . . . . 4.42 109.574 167.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.642 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 40.7 Cg_exo -63.87 150.98 87.2 Favored 'Trans proline' 0 C--N 1.318 -1.028 1 C-N-CA 125.443 4.096 . . . . 0.94 115.88 -173.674 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -91.67 125.15 36.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.363 -1.347 . . . . 2.01 107.363 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -120.02 161.65 20.57 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.072 0.767 . . . . 2.24 113.072 -169.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 26.8 m-70 -111.12 155.85 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.236 -1.024 . . . . 0.6 108.236 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttm -139.45 127.23 22.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.721 -0.392 . . . . 0.73 110.784 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.88 145.99 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.94 110.561 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.8 m -111.02 129.09 56.01 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.88 -0.6 . . . . 1.3 111.702 -174.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m-85 -113.89 177.46 4.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.284 0.564 . . . . 0.32 110.386 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -134.62 22.61 3.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.236 -0.893 . . . . 1.17 110.348 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.402 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -145.64 127.92 15.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.939 -0.573 . . . . 1.62 110.064 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 30.7 mmt180 -62.67 -46.15 89.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.288 -0.869 . . . . 3.68 111.186 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 29.2 m -57.05 -49.64 75.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.5 110.59 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -50.06 -58.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.27 111.661 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.719 ' SD ' ' HB2' ' A' ' 58' ' ' MET . 4.1 ptm -59.5 -42.44 92.17 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.84 111.668 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.661 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -65.89 -42.7 89.94 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.208 -0.905 . . . . 0.67 111.777 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.78 -48.56 58.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.724 -0.473 . . . . 1.55 109.724 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 mm -56.91 -37.42 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.22 110.164 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.617 ' CG ' HD11 ' A' ' 60' ' ' LEU . 4.0 mtmm -52.46 -65.08 0.62 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.394 0.616 . . . . 0.92 110.155 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 38.2 ttp -56.38 -45.68 80.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.307 -1.315 . . . . 1.41 111.9 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 107' ' ' ILE . 52.3 m -52.98 -52.38 58.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.219 178.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 53.8 mt -70.3 -51.92 26.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.467 0.651 . . . . 1.03 111.221 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -51.49 -46.61 63.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.272 -1.331 . . . . 1.72 111.742 -176.399 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -62.13 -50.58 71.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.313 0.101 . . . . 2.21 111.075 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.1 mt -57.62 -42.48 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.102 -0.333 . . . . 0.39 110.102 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 67.6 mt -54.11 -55.94 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.4 110.835 172.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 41.1 m -60.7 -30.15 69.77 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.312 -0.858 . . . . 1.32 111.43 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.513 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 92.2 mtt180 -69.81 -24.98 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 2.87 111.123 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.7 m-85 -92.33 -16.64 25.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.155 0.503 . . . . 2.75 110.129 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 32.7 mttm -74.83 -53.73 8.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 1.63 110.459 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.95 -29.85 35.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.561 0.696 . . . . 1.6 109.698 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.75 20.41 6.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.108 -1.405 . . . . 1.33 111.596 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.77 -0.634 . . . . 2.23 109.796 176.205 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.802 0.334 . . . . 3.79 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -84.14 -51.3 7.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.825 0.345 . . . . 2.78 111.364 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.04 -27.72 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.298 0.571 . . . . 3.58 109.971 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.54 -31.66 71.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 2.67 110.764 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.64 -29.62 70.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 2.16 110.063 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.618 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 59.2 m-85 -69.96 -12.19 61.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.515 -0.766 . . . . 1.84 111.532 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -84.76 -49.95 8.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.889 0.376 . . . . 2.39 110.306 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -66.82 -42.9 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.258 0.466 . . . . 2.91 112.258 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.618 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 3.2 p-90 -66.0 -17.94 65.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.23 0.538 . . . . 1.06 110.62 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 1.0 OUTLIER -86.71 -46.87 9.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.784 -0.644 . . . . 1.02 110.254 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -22.08 47.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 3.37 111.535 -176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 53.2 m -62.4 -37.8 87.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 1.9 110.059 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 52' ' ' PRO . 18.1 tp10 -66.84 -41.8 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.97 -0.559 . . . . 2.32 109.845 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 39' ' ' MET . 41.8 tt0 -61.19 -42.66 98.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 3.14 110.229 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.17 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 2.58 110.693 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.32 -31.6 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 3.65 111.099 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.6 -30.53 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 3.22 110.727 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 25.9 mmt -79.34 -21.88 45.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.905 -0.589 . . . . 4.43 111.05 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.571 -1.127 . . . . 6.18 112.258 178.168 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.481 0.751 0 N-CA-C 110.994 -0.425 . . . . 3.6 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p 56.31 175.15 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.821 0.848 . . . . 1.99 112.348 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.5 m80 68.09 -15.99 0.2 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.76 1.022 . . . . 0.61 113.76 173.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.602 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.8 p -148.11 163.46 36.87 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.568 0.699 . . . . 0.28 112.524 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.04 150.91 7.11 Favored Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 114.312 -1.313 . . . . 0.15 110.337 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.64 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.1 119.15 11.55 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.311 0.577 . . . . 0.19 111.673 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.51 172.88 10.31 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.176 -0.92 . . . . 0.16 110.107 -177.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -130.33 138.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 110.293 -0.262 . . . . 0.36 110.293 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.647 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 46.2 t80 -150.55 132.96 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 0.39 109.032 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.3 mt-10 64.86 36.07 8.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.278 0.561 . . . . 1.33 111.058 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 62.82 8.3 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.835 -1.075 . . . . 2.23 113.158 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.7 p -111.87 148.44 15.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.505 -0.924 . . . . 0.26 108.505 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.637 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 m -95.21 157.08 16.05 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.311 0.577 . . . . 1.29 111.595 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.528 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -172.63 -150.88 7.59 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.521 -0.763 . . . . 0.17 111.788 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.4 145.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.651 -0.5 . . . . 0.18 109.651 173.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.51 128.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 107.075 -1.454 . . . . 0.17 107.075 170.006 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.38 110.03 6.68 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.951 0.405 . . . . 0.15 111.511 -171.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -91.97 126.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.225 0.536 . . . . 0.23 110.522 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.33 127.15 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.29 -0.868 . . . . 1.36 110.842 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -122.08 72.16 1.03 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.509 -1.293 . . . . 1.47 107.509 166.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.73 -22.13 10.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.044 1.402 . . . . 3.67 108.338 167.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 23' ' ' SER . 16.1 m -108.0 -169.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 112.05 -2.341 . . . . 0.9 111.572 -161.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -72.55 170.19 14.11 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 105.348 -2.093 . . . . 1.23 105.348 171.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HB2' HG23 ' A' ' 41' ' ' VAL . 72.3 Cg_exo -34.02 127.08 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.632 2.221 . . . . 0.56 113.736 -147.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.12 138.05 0.47 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 113.474 -1.694 . . . . 0.27 112.575 -167.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 2.8 mt-10 -122.71 148.48 45.26 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.251 0.548 . . . . 0.69 110.35 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 HD11 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -103.12 126.77 50.45 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.275 -0.875 . . . . 0.59 108.759 177.659 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.3 m -115.96 108.09 15.81 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.794 -0.362 . . . . 0.22 111.178 -172.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CH2' HG13 ' A' ' 12' ' ' VAL . 84.4 t90 -88.0 120.93 29.83 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.463 -0.94 . . . . 0.22 108.463 170.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.4 ptt180 -132.83 124.03 27.22 Favored 'General case' 0 N--CA 1.427 -1.586 0 C-N-CA 119.2 -1.0 . . . . 1.93 111.614 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.2 p -57.45 147.89 25.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.233 -1.803 . . . . 0.27 109.995 -174.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.528 HG23 ' HA2' ' A' ' 14' ' ' GLY . 21.8 p -55.53 -25.14 35.86 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.886 0.742 . . . . 0.97 112.349 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.61 -25.24 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 2.57 111.093 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.78 4.81 61.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.872 -0.68 . . . . 1.07 112.303 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.33 -56.84 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.339 . . . . 2.64 111.378 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 11.1 mttp -86.98 136.52 32.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.433 -0.349 . . . . 1.2 111.404 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 30' ' ' ARG . 7.9 t -146.3 117.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.497 -0.927 . . . . 0.83 108.497 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -122.17 118.93 29.83 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.356 -0.609 . . . . 0.33 109.356 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -109.23 128.5 55.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.644 0.735 . . . . 0.32 111.889 -171.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 31.9 t -116.7 101.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.861 -1.063 . . . . 0.23 110.683 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.28 114.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.312 -0.625 . . . . 0.63 109.312 175.503 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 42' ' ' LEU . 1.2 mm? -52.33 -23.28 5.58 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.88 1.437 . . . . 1.24 114.88 -172.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -69.18 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.308 0.504 . . . . 1.08 112.016 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.9 p -94.05 -2.22 53.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.505 0.669 . . . . 0.36 109.763 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 23.1 mm -100.18 146.16 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 CA-C-N 115.059 -0.973 . . . . 0.36 111.4 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -100.57 -45.97 5.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.21 -0.905 . . . . 0.7 110.397 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.8 tmtp? -144.98 174.49 10.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 1.56 110.392 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.64 155.23 43.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.819 -0.628 . . . . 1.37 109.69 167.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -148.07 168.45 22.35 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.576 -0.738 . . . . 2.28 110.071 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -144.8 166.97 23.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.164 -0.471 . . . . 0.43 110.06 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p -68.7 146.74 97.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.599 0.237 . . . . 0.55 110.721 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.76 133.15 56.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.665 2.243 . . . . 1.1 111.626 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.95 -17.54 57.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 1.58 111.852 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 p -70.19 -17.53 63.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 1.55 110.729 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -105.4 142.04 35.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.781 -0.645 . . . . 1.32 109.473 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 58' ' ' MET . 45.2 tp10 -67.68 -27.99 67.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 2.37 110.444 174.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -60.76 139.94 57.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.709 -0.678 . . . . 2.29 110.372 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.505 ' HG2' ' HG3' ' A' ' 97' ' ' MET . 35.1 mtm -124.64 112.97 17.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.678 -0.692 . . . . 1.13 111.166 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HB3' HG23 ' A' ' 51' ' ' THR . 13.8 tpp -148.79 136.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.337 -0.847 . . . . 0.63 110.266 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.68 148.85 32.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.405 -0.591 . . . . 0.48 109.405 173.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -117.2 147.34 42.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.196 0.522 . . . . 2.37 110.697 174.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 2.3 mm? -113.69 104.02 11.81 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.757 -1.201 . . . . 0.7 107.757 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.603 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.7 mm -87.92 97.26 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 N-CA-C 108.386 -0.968 . . . . 0.41 108.386 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -75.76 163.8 53.66 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.813 -0.708 . . . . 0.37 111.737 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -61.78 163.69 7.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.851 0.834 . . . . 1.16 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 83' ' ' LYS . 25.6 m -100.91 140.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 114.657 -1.156 . . . . 1.48 112.853 -161.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.7 77.13 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.99 -1.005 . . . . 4.14 110.686 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -1.51 57.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.157 -0.929 . . . . 4.61 111.487 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 p -76.45 -40.02 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.298 1.222 . . . . 4.68 114.298 -167.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -110.81 -41.18 4.33 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.88 1.067 . . . . 6.99 113.88 -172.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -98.03 116.36 30.09 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 122.158 -0.338 . . . . 8.2 110.306 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.749 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 45.4 mtp180 -138.82 99.86 3.9 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 114.792 1.404 . . . . 10.67 114.792 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.848 ' H ' HG23 ' A' ' 81' ' ' VAL . 67.1 mmtt -155.9 122.95 5.35 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.217 1.407 . . . . 8.97 109.107 164.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.551 ' HB3' ' H ' ' A' ' 78' ' ' ASN . 37.5 t70 -88.02 -178.11 5.91 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.724 -0.473 . . . . 8.74 109.724 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.14 -29.71 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.443 0.565 . . . . 11.37 109.887 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -91.45 2.56 56.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.539 0.685 . . . . 11.2 109.994 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 61.53 37.54 94.32 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.132 -0.94 . . . . 8.81 112.102 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.551 ' H ' ' HB3' ' A' ' 74' ' ' ASP . 7.8 t-20 -63.25 -2.09 1.29 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.887 0.375 . . . . 8.6 111.301 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 46.9 mt-10 68.3 46.05 1.14 Allowed 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 123.5 0.72 . . . . 8.38 110.442 -175.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -137.89 134.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.645 -1.161 . . . . 5.39 110.033 172.501 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.848 HG23 ' H ' ' A' ' 73' ' ' LYS . 30.0 t -130.63 105.04 15.72 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 109.257 -0.646 . . . . 4.27 109.257 167.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -86.8 112.65 1.0 Allowed 'Trans proline' 0 N--CA 1.423 -2.643 0 CA-C-O 121.856 0.69 . . . . 2.92 111.002 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 77.1 mttt -111.79 107.2 56.48 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 114.45 -1.25 . . . . 4.42 111.19 174.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' N ' HG12 ' A' ' 66' ' ' VAL . 11.4 Cg_exo -71.69 139.64 34.25 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 123.479 2.786 . . . . 0.94 111.193 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -91.49 111.1 22.46 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.174 -0.61 . . . . 2.01 109.648 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.7 mtm180 -104.31 139.51 39.19 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 113.415 0.894 . . . . 2.24 113.415 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 46.3 m-70 -116.41 145.85 42.95 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.106 -1.407 . . . . 0.6 107.343 171.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -131.34 129.31 41.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.248 -0.581 . . . . 0.73 110.919 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 40.5 m-85 -128.03 138.04 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.562 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.1 t -105.86 135.45 47.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.357 -0.238 . . . . 1.3 110.357 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 49.8 m-85 -112.92 177.26 4.69 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.417 -0.586 . . . . 0.32 109.417 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -133.49 33.72 3.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.644 -0.707 . . . . 1.17 110.027 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -156.82 134.11 10.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.533 -0.758 . . . . 1.62 110.195 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -70.84 -40.2 72.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.666 -0.697 . . . . 3.68 111.54 -173.61 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.1 m -65.04 -46.24 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.336 -0.393 . . . . 0.5 110.523 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 100' ' ' ILE . 45.3 t -48.42 -55.11 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.27 110.493 172.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 58' ' ' MET . 47.2 mmm -43.9 -57.19 3.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 123.546 0.529 . . . . 0.84 112.171 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.2 t70 -67.51 -40.98 85.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.524 . . . . 0.67 111.764 -174.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -69.57 -45.81 67.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.261 -0.427 . . . . 1.55 110.288 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -61.17 -44.77 98.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.286 -0.635 . . . . 0.22 109.286 173.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.614 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 40.8 mtmt -48.68 -59.24 3.7 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.92 110.439 173.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 mtm -58.48 -48.82 79.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 1.41 112.079 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 3' ' ' HIS . 94.2 m -55.12 -52.51 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.27 111.193 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.7 mp -67.43 -49.84 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.032 -0.729 . . . . 1.03 109.032 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 15.2 tm0? -52.47 -49.69 64.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.177 -0.92 . . . . 1.72 112.362 -178.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.0 mt-30 -61.46 -49.5 76.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.631 0.253 . . . . 2.21 111.094 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 25' ' ' ALA . 82.9 mt -62.78 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 0.39 111.17 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 72.4 mt -60.19 -45.26 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.4 110.31 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -58.43 -33.92 70.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 1.32 110.883 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.522 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.6 mtt180 -64.96 -36.89 85.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 2.87 111.163 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -89.72 -15.91 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.776 0.798 . . . . 2.75 109.474 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 108' ' ' ILE . 25.1 tttm -72.28 -52.25 17.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.513 -1.221 . . . . 1.63 109.699 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.79 -34.67 69.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.493 -0.776 . . . . 1.6 109.642 174.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.94 19.86 5.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.162 -1.381 . . . . 1.33 112.41 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.13 -0.938 . . . . 2.23 110.113 177.058 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.753 0.279 . . . . 3.79 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 7.3 t -77.38 -25.81 51.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.146 -0.346 . . . . 2.78 111.49 -174.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 10.1 pt20 -62.31 -25.72 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.877 -0.786 . . . . 3.58 108.877 172.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.39 -34.99 41.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.381 -0.827 . . . . 2.67 109.36 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -63.4 -31.75 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.551 -0.749 . . . . 2.16 110.028 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.809 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 12.9 m-85 -72.33 -14.76 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.62 -0.718 . . . . 1.84 111.47 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 79.4 mt -84.15 -27.7 27.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.533 -0.303 . . . . 2.39 110.437 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -86.82 -40.45 14.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.27 0.47 . . . . 2.91 112.27 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.809 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 28.7 p-90 -65.2 -28.04 69.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 119.959 -0.696 . . . . 1.06 109.729 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -60.95 -46.2 91.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.806 . . . . 1.02 109.964 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -74.0 -27.1 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 3.37 110.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -66.09 -48.02 72.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.963 -0.562 . . . . 1.9 110.422 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.91 -25.58 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.56 -0.291 . . . . 2.32 110.763 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.64 -31.57 69.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.43 . . . . 3.14 110.427 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.9 -23.54 67.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.58 111.339 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -48.85 77.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 3.65 109.684 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.46 -29.02 56.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.152 0.501 . . . . 3.22 110.969 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.76 -43.03 57.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 4.43 111.28 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.947 -0.918 . . . . 6.18 112.246 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 N--CA 1.478 0.604 0 N-CA-C 110.262 -0.707 . . . . 3.6 110.262 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -82.58 -59.37 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.249 0.547 . . . . 1.99 110.932 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' HA ' HG21 ' A' ' 103' ' ' THR . 77.8 m80 -89.69 8.26 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.565 -0.743 . . . . 0.61 111.41 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.9 p -159.63 165.32 32.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.395 0.617 . . . . 0.28 111.836 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.5 148.7 6.2 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 114.699 -1.137 . . . . 0.15 110.695 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.66 116.16 7.29 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.461 0.648 . . . . 0.19 111.445 -173.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.82 174.53 8.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.793 -1.094 . . . . 0.16 110.194 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -130.89 138.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 110.064 -0.347 . . . . 0.36 110.064 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.2 t80 -148.96 128.98 13.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.931 -0.766 . . . . 0.39 108.931 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 65.46 41.58 4.15 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.127 0.489 . . . . 1.33 110.994 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 66.73 -8.23 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.064 -0.971 . . . . 2.23 113.336 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -101.49 147.9 7.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.978 0.418 . . . . 0.26 109.879 177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.642 ' HA ' HG13 ' A' ' 8' ' ' ILE . 17.5 t -98.13 154.47 17.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.514 -0.766 . . . . 1.29 111.698 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.82 -145.85 5.49 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.748 -1.115 . . . . 0.17 111.621 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.2 145.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.807 -0.442 . . . . 0.18 109.807 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.21 131.35 47.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 107.093 -1.447 . . . . 0.17 107.093 169.449 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 121.71 15.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.572 0.225 . . . . 0.15 111.267 -171.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 104' ' ' LEU . 2.7 mp -97.11 124.66 50.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.999 0.904 . . . . 0.23 111.92 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.415 ' ND2' HG21 ' A' ' 22' ' ' VAL . 65.9 t30 -94.56 146.03 24.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.751 -1.568 . . . . 1.36 109.658 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 22' ' ' VAL . 36.8 mt-10 -119.8 -146.58 0.38 Allowed 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 105.966 -1.864 . . . . 1.47 105.966 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -37.53 29.82 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 131.248 3.819 . . . . 3.67 118.397 -143.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.6 m -94.99 -168.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 113.762 -1.563 . . . . 0.9 106.855 171.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.3 m -70.69 159.13 86.21 Favored Pre-proline 0 C--N 1.308 -1.206 0 N-CA-C 105.585 -2.006 . . . . 1.23 105.585 -177.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 69.6 Cg_exo -34.26 125.47 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.055 . . . . 0.56 113.928 -144.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -33.85 127.53 0.39 Allowed 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.497 1.748 . . . . 0.27 111.523 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -114.49 140.58 48.61 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.427 -0.509 . . . . 0.69 110.054 -170.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.32 129.31 48.72 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.94 -0.763 . . . . 0.59 108.94 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.7 m -119.79 107.74 13.55 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.027 -0.533 . . . . 0.22 111.058 -172.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.9 t90 -89.45 124.96 34.96 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.177 -1.046 . . . . 0.22 108.177 169.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 ptt180 -133.93 135.19 43.41 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.204 0.526 . . . . 1.93 110.484 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.5 p -65.16 161.65 18.7 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.835 -1.075 . . . . 0.27 110.714 -172.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -60.9 -18.66 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.615 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.12 -29.31 21.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.153 0.501 . . . . 2.57 110.68 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.04 60.42 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.886 -0.673 . . . . 1.07 112.562 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.85 -56.39 9.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 2.64 110.655 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 6.2 mttt -79.64 120.28 23.75 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.761 -0.654 . . . . 1.2 110.557 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.852 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 t -137.51 118.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.666 -0.864 . . . . 0.83 108.666 178.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 9.4 m80 -121.84 123.39 41.66 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.383 -0.599 . . . . 0.33 109.383 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.8 117.58 32.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.674 0.749 . . . . 0.32 111.933 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.4 t -100.48 100.53 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.753 -1.112 . . . . 0.23 109.627 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.12 115.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.571 -1.27 . . . . 0.63 107.571 174.444 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 49.8 mt -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 114.364 1.246 . . . . 1.24 114.364 -160.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.536 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 26.9 m -63.37 5.7 0.16 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.377 0.99 . . . . 1.08 112.924 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -102.08 -1.33 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 0.36 110.121 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.2 mm -95.14 144.67 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.685 -0.689 . . . . 0.36 110.635 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.5 t70 -108.07 -41.36 4.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.727 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.569 ' HB3' HG13 ' A' ' 63' ' ' ILE . 3.9 mmtp -133.98 174.62 10.28 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.728 0.775 . . . . 1.56 111.682 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -146.44 134.48 21.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.813 -1.085 . . . . 1.37 108.567 176.174 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.7 mm-40 -131.73 147.94 52.54 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.239 -0.437 . . . . 2.28 110.24 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -135.36 153.95 51.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.441 -0.345 . . . . 0.43 110.11 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p -64.28 141.93 98.23 Favored Pre-proline 0 C--O 1.236 0.389 0 CA-C-N 116.453 -0.339 . . . . 0.55 111.503 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.87 142.1 75.84 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.201 2.601 . . . . 1.1 112.165 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -16.96 64.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.669 . . . . 1.58 112.004 -175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -72.74 -22.21 60.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.324 0.583 . . . . 1.55 110.445 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -89.52 136.36 33.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.427 -0.806 . . . . 1.32 110.083 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 29.4 tt0 -70.05 -32.32 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.37 109.642 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 32.5 mtmm -65.12 145.73 55.91 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.309 -0.859 . . . . 2.29 110.272 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -129.93 115.56 17.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.694 -0.685 . . . . 1.13 111.026 -169.33 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -147.2 140.9 25.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.63 111.023 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD23 ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -116.43 149.27 39.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.3 -0.409 . . . . 0.48 110.112 171.583 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 98.1 mtt180 -120.67 133.53 55.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.953 -0.567 . . . . 2.37 111.222 173.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -97.54 102.16 13.86 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.824 -1.08 . . . . 0.7 109.21 169.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 47' ' ' LYS . 12.8 mm -87.02 100.7 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 118.445 0.566 . . . . 0.41 110.068 -174.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -60.18 169.8 7.49 Favored Glycine 0 N--CA 1.447 -0.619 0 O-C-N 123.565 0.54 . . . . 0.37 112.379 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 68.4 mttt -68.74 162.36 26.39 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 114.45 1.278 . . . . 1.16 114.45 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.92 HG12 ' HG3' ' A' ' 84' ' ' PRO . 3.1 m -103.79 -176.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 112.714 -2.039 . . . . 1.48 112.044 -165.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.53 ' HA ' ' HG2' ' A' ' 82' ' ' PRO . 22.7 t70 -51.39 92.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 122.393 1.092 . . . . 4.14 110.949 -175.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.58 ' H ' ' HG2' ' A' ' 82' ' ' PRO . 10.2 mm-40 -82.68 6.42 17.98 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 113.599 -1.637 . . . . 4.61 112.092 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -50.76 3.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.26 1.208 . . . . 4.68 114.26 -178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 68' ' ' GLU . 22.5 mttt -64.53 -33.66 76.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.305 -1.368 . . . . 6.99 107.305 167.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -85.02 160.67 19.98 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.122 -1.399 . . . . 8.2 110.366 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -60.72 168.91 2.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.257 0.836 . . . . 10.67 113.257 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 78' ' ' ASN . 8.8 mtmp? -69.79 170.6 10.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.41 -1.268 . . . . 8.97 110.604 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 6.2 t70 -67.89 -168.95 0.11 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.225 -0.443 . . . . 8.74 111.701 -172.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 37.9 m-80 -62.35 -34.7 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.246 0.462 . . . . 11.37 112.246 -170.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -99.26 21.45 11.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.474 0.654 . . . . 11.2 110.005 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.25 28.59 73.73 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.306 -0.861 . . . . 8.81 112.104 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 6.2 m-20 -63.98 117.89 7.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.296 0.57 . . . . 8.6 110.228 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.71 64.89 0.48 Allowed 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 114.389 -1.278 . . . . 8.38 109.913 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 78' ' ' ASN . 1.4 m -77.21 147.95 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 5.39 110.402 -174.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.48 102.95 49.67 Favored Pre-proline 0 N--CA 1.439 -1.005 0 N-CA-C 109.082 -0.71 . . . . 4.27 109.082 171.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.58 ' HG2' ' H ' ' A' ' 68' ' ' GLU . 32.5 Cg_endo -84.78 123.21 2.79 Favored 'Trans proline' 0 N--CA 1.438 -1.772 0 C-N-CA 122.27 1.98 . . . . 2.92 113.081 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 33.2 mtmm -103.02 150.64 38.02 Favored Pre-proline 0 C--N 1.309 -1.19 0 CA-C-N 113.799 -1.546 . . . . 4.42 108.558 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.92 ' HG3' HG12 ' A' ' 66' ' ' VAL . 35.4 Cg_exo -60.18 122.7 11.78 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.473 2.116 . . . . 0.94 110.777 -175.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -93.35 110.88 22.42 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 109.064 -0.717 . . . . 2.01 109.064 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.761 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.7 ptt180 -107.04 144.39 33.76 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 119.63 -0.828 . . . . 2.24 111.502 -173.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 85.2 m-70 -111.96 129.71 56.09 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.381 -1.281 . . . . 0.6 108.228 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.488 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 23.1 ttm -116.61 126.84 53.83 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.653 -0.419 . . . . 0.73 111.213 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 14.5 m-85 -128.19 136.38 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.94 110.58 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 6.6 t -99.03 135.88 39.8 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.481 -0.327 . . . . 1.3 110.675 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.769 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.4 m-85 -112.71 178.06 4.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.11 0.481 . . . . 0.32 110.188 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -130.08 26.56 5.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.824 . . . . 1.17 110.312 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.566 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.2 t-20 -158.86 131.52 6.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.022 -0.535 . . . . 1.62 109.831 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' MET . 9.7 mpt_? -72.74 -33.74 66.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.129 -0.487 . . . . 3.68 110.956 -174.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.566 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 94.2 m -61.75 -50.55 71.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.5 109.966 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -48.63 -52.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.382 -0.826 . . . . 0.27 110.89 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 5.1 mtp -43.49 -57.78 2.93 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 112.485 0.55 . . . . 0.84 112.485 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.62 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.3 t70 -65.92 -38.86 89.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.246 -0.434 . . . . 0.67 111.239 -174.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -52.42 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.723 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.3 mm -60.06 -41.17 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.22 109.571 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 17.9 mtmt -49.85 -64.46 0.8 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.422 0.63 . . . . 0.92 110.608 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.5 ttm -58.73 -51.01 71.78 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.654 -1.157 . . . . 1.41 111.938 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 3' ' ' HIS . 68.0 m -48.58 -50.31 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.514 0.508 . . . . 0.27 111.615 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.7 mp -73.95 -50.54 19.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.548 0.69 . . . . 1.03 109.368 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.668 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -57.74 -42.7 84.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.414 -1.266 . . . . 1.72 112.076 -176.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.91 -46.0 86.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.309 0.1 . . . . 2.21 111.177 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' A' ' 25' ' ' ALA . 91.4 mt -57.23 -45.55 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 0.39 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.838 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 65.0 mt -56.25 -55.15 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 115.492 -0.776 . . . . 0.4 110.779 175.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 19.8 m -59.45 -23.73 62.95 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.716 -0.675 . . . . 1.32 111.061 -178.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -75.66 -35.79 60.31 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 116.106 -0.497 . . . . 2.87 110.794 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.838 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 -92.09 5.3 50.78 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.29 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 36.6 mttm -89.68 -51.78 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 1.63 109.848 169.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.99 -38.09 79.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.491 -0.777 . . . . 1.6 110.124 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.47 17.85 11.04 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.438 -1.255 . . . . 1.33 112.689 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.383 -0.818 . . . . 2.23 109.757 177.731 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.588 0.232 . . . . 3.79 111.302 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -65.67 -53.8 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.822 0.304 . . . . 2.78 111.822 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -66.84 -31.68 72.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 3.58 109.923 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -38.57 88.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 2.67 110.663 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 2.16 111.696 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.779 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 80.6 m-85 -63.76 -34.06 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 1.84 110.959 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -75.02 -18.12 60.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 2.39 110.254 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 11.5 mmpt? -86.42 -48.74 8.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.134 -0.484 . . . . 2.91 111.049 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.779 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 39.9 p-90 -74.54 -33.41 62.74 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.509 -0.477 . . . . 1.06 111.059 -175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.488 ' HZ3' ' SD ' ' A' ' 88' ' ' MET . 1.8 t-105 -64.15 -47.35 80.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.02 110.738 -176.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -76.47 -29.41 56.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 3.37 111.472 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.28 -43.76 97.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 1.9 110.467 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.12 -32.6 56.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 2.32 110.657 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 3.14 110.276 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.17 -8.43 59.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 2.58 111.121 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -81.7 -45.96 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 3.65 110.546 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.46 -42.83 14.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 3.22 110.769 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 52.2 mtm 60.16 70.15 0.65 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.409 0.443 . . . . 4.43 110.777 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.583 -1.121 . . . . 6.18 112.012 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo . . . . . 0 N--CA 1.479 0.637 0 N-CA-C 110.725 -0.529 . . . . 3.6 110.725 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p 61.71 156.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.393 1.077 . . . . 1.99 112.588 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' HA ' HG21 ' A' ' 103' ' ' THR . 43.1 m80 64.9 -7.06 0.29 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.316 -0.856 . . . . 0.61 113.163 175.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.9 p -157.24 165.97 34.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.306 0.574 . . . . 0.28 111.779 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.56 149.31 6.22 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.578 -1.192 . . . . 0.15 110.501 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.53 118.27 9.9 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.239 0.542 . . . . 0.19 111.719 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.79 172.12 10.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.145 -0.934 . . . . 0.16 110.448 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.54 135.04 59.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.392 -0.596 . . . . 0.36 109.392 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -140.68 119.11 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.39 110.586 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 52.53 58.19 5.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.375 -0.829 . . . . 1.33 112.131 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 4.1 mptt 70.36 14.57 7.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.328 -1.305 . . . . 2.23 113.731 170.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -132.76 148.49 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 0.26 110.274 171.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.641 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.5 t -100.84 154.57 18.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.709 -0.678 . . . . 1.29 112.1 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.98 -145.23 5.62 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.039 -0.982 . . . . 0.17 112.132 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.74 147.2 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.231 0.612 . . . . 0.18 109.736 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.87 131.87 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.4 -1.333 . . . . 0.17 107.4 169.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.88 119.15 12.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.422 0.153 . . . . 0.15 111.264 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.03 128.09 46.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.317 1.056 . . . . 0.23 112.746 -173.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.442 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 5.6 m-20 -89.66 150.17 22.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.239 -1.801 . . . . 1.36 110.645 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' VAL . 41.2 mt-10 -117.08 -133.07 0.33 Allowed 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 126.838 2.055 . . . . 1.47 108.261 -173.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.86 24.21 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 129.562 3.145 . . . . 3.67 116.34 -167.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.3 m -96.11 -167.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.672 0 N-CA-C 105.866 -1.902 . . . . 0.9 105.866 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -70.49 152.76 95.36 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 106.039 -1.837 . . . . 1.23 106.039 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.4 Cg_exo -34.5 126.09 0.2 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.78 2.32 . . . . 0.56 113.762 -144.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -31.3 120.89 0.24 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 125.371 1.67 . . . . 0.27 111.975 -165.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -115.57 140.9 48.74 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.773 -0.648 . . . . 0.69 110.554 -168.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.21 126.62 47.95 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.342 -0.614 . . . . 0.59 109.342 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.447 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.7 m -114.92 107.35 15.27 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 116.069 -0.514 . . . . 0.22 111.047 -172.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 71.7 t90 -89.88 122.83 33.29 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.118 . . . . 0.22 107.98 168.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.7 ptt180 -130.3 138.67 50.58 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.94 -0.573 . . . . 1.93 109.615 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.515 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.1 p -70.2 161.18 30.75 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.375 -0.83 . . . . 0.27 110.663 -170.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -55.07 -37.71 67.12 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.923 0.392 . . . . 0.97 111.441 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.56 -26.35 63.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.954 -0.566 . . . . 2.57 111.118 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.58 -0.12 67.56 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.977 -0.63 . . . . 1.07 111.695 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.83 -53.39 18.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 2.64 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 11.0 mttp -85.9 131.84 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 1.2 110.486 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.9 t -143.74 117.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.678 -0.86 . . . . 0.83 108.678 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -123.85 127.28 47.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.276 -0.638 . . . . 0.33 109.276 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -115.85 122.63 45.95 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.759 0.79 . . . . 0.32 112.017 -172.406 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 45' ' ' ILE . 27.7 t -103.75 100.48 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.638 -1.164 . . . . 0.23 109.947 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.32 116.32 9.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.1 -0.704 . . . . 0.63 109.1 175.21 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 25' ' ' ALA . 3.0 mm? -51.29 -26.66 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.804 1.039 . . . . 1.24 113.804 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.5 t -61.98 -17.64 57.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.771 0.32 . . . . 1.08 111.234 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -96.09 3.29 53.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.36 110.779 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.7 mm -98.57 146.8 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.933 -0.576 . . . . 0.36 111.217 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -109.64 -50.47 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.523 -0.762 . . . . 0.7 110.489 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.65 ' HD3' ' N ' ' A' ' 48' ' ' LEU . 3.2 tmtp? -135.21 159.01 42.89 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.049 -0.722 . . . . 1.56 109.049 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -127.22 138.57 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.914 -0.491 . . . . 1.37 110.229 171.772 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 66.8 mt-30 -127.2 148.16 50.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 2.28 110.36 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.94 148.71 45.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.995 -0.548 . . . . 0.43 109.815 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.36 135.8 95.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.55 112.221 -177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' CG ' ' HB3' ' B' ' 34' ' ' GLU . 20.4 Cg_endo -61.15 153.3 65.73 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.502 2.801 . . . . 1.1 112.054 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.58 -17.28 63.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 1.58 112.046 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.6 p -71.63 -24.46 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.002 0.43 . . . . 1.55 110.595 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -96.94 133.5 41.51 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.931 -0.577 . . . . 1.32 109.973 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -76.04 -21.67 56.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 2.37 110.557 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -72.68 111.73 8.09 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.05 -0.523 . . . . 2.29 111.163 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.1 mpp? -71.74 118.2 14.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.85 -0.614 . . . . 1.13 110.701 178.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -152.11 139.95 19.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.63 111.867 -172.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.5 mm? -125.1 146.65 49.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.167 -0.469 . . . . 0.48 109.865 170.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' NH2' ' HD2' ' A' ' 86' ' ' ARG . 58.2 mtp180 -120.49 141.74 49.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.432 0.634 . . . . 2.37 110.895 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.0 mm? -106.93 105.28 15.23 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.29 -1.374 . . . . 0.7 107.29 173.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -87.54 97.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.208 -1.034 . . . . 0.41 108.208 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -74.07 158.74 52.26 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.915 -0.584 . . . . 0.37 112.212 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -65.35 164.41 13.68 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 122.313 1.054 . . . . 1.16 112.118 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 82' ' ' PRO . 12.4 m -114.6 161.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 CA-C-N 113.293 -1.776 . . . . 1.48 110.764 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 69' ' ' SER . 52.9 m-20 -60.96 149.54 36.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.011 -0.995 . . . . 4.14 109.972 171.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.34 1.35 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.139 0.792 . . . . 4.61 113.139 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 67' ' ' ASP . 9.1 m -58.29 1.46 0.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.884 0.698 . . . . 4.68 112.884 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -66.8 -19.24 65.7 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.261 -1.015 . . . . 6.99 108.261 170.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -56.75 165.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.192 -1.367 . . . . 8.2 111.212 170.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -54.7 168.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.67 111.741 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -66.93 160.52 26.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.154 0.798 . . . . 8.97 113.154 -172.442 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.43 177.59 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.482 -1.235 . . . . 8.74 110.007 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -59.25 -30.95 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.466 0.576 . . . . 11.37 111.758 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.03 1.33 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.291 0.567 . . . . 11.2 110.781 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.559 ' HA2' ' HD3' ' A' ' 73' ' ' LYS . . . 63.09 38.56 96.77 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.214 -0.903 . . . . 8.81 112.687 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -47.25 -36.32 8.87 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.274 0.472 . . . . 8.6 112.274 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 44.3 mt-10 53.79 62.5 2.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.139 -0.689 . . . . 8.38 109.139 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.3 142.51 14.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.467 -0.788 . . . . 5.39 110.527 -170.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.7 126.44 43.11 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 115.99 -0.55 . . . . 4.27 109.533 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HB2' ' HB ' ' A' ' 66' ' ' VAL . 55.6 Cg_endo -76.18 124.13 7.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 121.736 1.624 . . . . 2.92 111.682 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -93.78 117.65 67.28 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.607 -0.724 . . . . 4.42 111.403 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -64.28 139.72 67.16 Favored 'Trans proline' 0 C--N 1.329 -0.458 0 C-N-CA 123.946 3.098 . . . . 0.94 111.55 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.71 111.99 23.57 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.473 -0.566 . . . . 2.01 109.473 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD2' ' NH2' ' A' ' 61' ' ' ARG . 6.8 mtm180 -105.61 141.85 36.36 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.341 0.867 . . . . 2.24 113.341 -171.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -117.87 114.96 24.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.739 -1.208 . . . . 0.6 107.739 172.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.9 ttm -107.86 127.63 53.9 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.324 -0.551 . . . . 0.73 110.612 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 28.5 m-85 -119.55 136.87 54.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.94 110.381 -178.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.609 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 50.9 m -100.44 126.36 46.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.682 -0.69 . . . . 1.3 111.199 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.9 m-85 -112.17 178.12 4.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.305 0.574 . . . . 0.32 109.99 175.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -134.58 17.3 3.62 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.228 -0.896 . . . . 1.17 110.956 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -141.63 133.44 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 1.62 110.188 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.96 -39.6 72.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.751 -0.659 . . . . 3.68 111.437 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.7 m -62.61 -49.01 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.555 -0.293 . . . . 0.5 110.327 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 91' ' ' PHE . 52.6 t -47.11 -55.96 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.27 110.714 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 9.9 mtp -45.21 -64.51 0.7 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 123.41 0.444 . . . . 0.84 112.052 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.49 -40.87 72.25 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.515 0.509 . . . . 0.67 112.001 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.61 -53.42 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 1.55 110.266 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 104' ' ' LEU . 45.7 mm -55.45 -49.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.588 -0.523 . . . . 0.22 109.588 174.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' CG ' HD11 ' A' ' 60' ' ' LEU . 29.0 mtpt -41.68 -63.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.839 -0.619 . . . . 0.92 111.234 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mtm -62.92 -46.79 86.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.656 -1.156 . . . . 1.41 112.053 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.476 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.8 m -50.98 -48.95 61.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.139 0.495 . . . . 0.27 111.533 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -75.33 -50.24 16.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.391 -0.822 . . . . 1.03 109.469 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 9.9 tm0? -53.6 -46.93 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.711 -1.131 . . . . 1.72 111.67 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 23.5 mm-40 -61.52 -46.27 90.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.679 -0.237 . . . . 2.21 111.469 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.2 mt -62.01 -41.31 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 110.066 -0.346 . . . . 0.39 110.066 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 92.4 mt -58.08 -51.18 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.411 173.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.0 t -57.41 -32.5 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 1.32 110.722 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.7 mtt180 -67.91 -29.28 68.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.488 -0.324 . . . . 2.87 111.461 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -93.11 -17.41 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 2.75 109.624 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -76.53 -50.85 12.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.631 -1.168 . . . . 1.63 109.627 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.14 -23.57 43.89 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.779 -1.1 . . . . 1.6 109.914 173.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 60.56 24.0 13.7 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 114.377 -1.283 . . . . 1.33 110.459 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 2.23 110.162 -179.285 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 111.568 0.21 . . . . 3.79 111.568 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -69.41 -52.4 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.934 -0.306 . . . . 2.78 111.415 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -63.35 -26.28 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.006 0.432 . . . . 3.58 110.341 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -70.78 -49.3 48.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.76 -0.655 . . . . 2.67 110.674 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.04 -29.69 69.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.541 0.686 . . . . 2.16 109.857 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -66.95 -14.05 62.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.712 -1.131 . . . . 1.84 110.957 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 84.2 mt -104.96 -29.76 10.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.551 . . . . 2.39 109.903 171.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.1 -47.14 87.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.332 -0.849 . . . . 2.91 111.088 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -58.11 -34.85 70.65 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.669 0.271 . . . . 1.06 110.695 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -66.2 -46.01 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.343 0.592 . . . . 1.02 109.868 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 14.7 mmm180 -62.68 -37.9 88.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.21 -0.905 . . . . 3.37 110.609 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -72.86 -36.25 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 1.9 111.247 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' HB3' ' CG ' ' A' ' 52' ' ' PRO . 67.3 mm-40 -64.06 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 2.32 110.423 175.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.22 -35.24 80.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 3.14 109.988 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.79 87.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 2.58 110.43 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -66.77 -30.59 70.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 3.65 110.831 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.1 -40.62 98.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 3.22 110.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.8 mtm -82.27 -54.37 5.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.306 -0.861 . . . . 4.43 110.493 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.284 -1.287 . . . . 6.18 111.26 -178.444 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo . . . . . 0 N--CA 1.48 0.677 0 N-CA-C 110.265 -0.706 . . . . 3.6 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' HIS . 41.6 m 64.7 114.36 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.84 0.712 . . . . 1.99 110.659 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 2' ' ' SER . 50.3 m80 70.87 -8.77 0.91 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.976 -0.556 . . . . 0.61 111.437 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.3 p -148.09 166.24 28.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.414 0.626 . . . . 0.28 112.057 -176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.46 153.41 8.22 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 114.56 -1.2 . . . . 0.15 110.514 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.24 114.89 6.33 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.372 0.606 . . . . 0.19 111.963 -172.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.833 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.22 175.57 6.59 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.16 110.165 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.28 137.2 56.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 110.377 -0.231 . . . . 0.36 110.377 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.499 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 48.1 t80 -150.32 133.55 16.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.842 -0.799 . . . . 0.39 108.842 -178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.499 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 39.6 mt-10 65.03 33.83 9.33 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.168 0.508 . . . . 1.33 111.029 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.89 -5.74 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.837 -1.074 . . . . 2.23 112.816 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.497 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -96.82 148.28 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.5 m -96.26 153.59 17.72 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.876 -0.602 . . . . 1.29 111.498 -176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -171.07 -146.9 5.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.709 -0.678 . . . . 0.17 111.898 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.24 144.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.566 -0.531 . . . . 0.18 109.566 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.33 133.34 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.16 -1.422 . . . . 0.17 107.16 171.067 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.91 107.93 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.846 0.355 . . . . 0.15 111.879 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.621 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -90.1 126.0 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.106 0.479 . . . . 0.23 110.245 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -112.44 127.68 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.611 -0.722 . . . . 1.36 111.39 -173.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 33.0 mt-10 -121.42 72.68 1.01 Allowed 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.038 -1.097 . . . . 1.47 108.038 167.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.54 -25.1 9.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 123.068 1.413 . . . . 3.67 108.502 165.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.27 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 112.049 -2.341 . . . . 0.9 112.374 -161.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -73.51 169.35 18.7 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 105.79 -1.93 . . . . 1.23 105.79 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.0 Cg_exo -34.4 125.93 0.19 Allowed 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.354 2.036 . . . . 0.56 113.806 -144.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -37.63 128.95 1.12 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.805 -1.543 . . . . 0.27 112.375 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.06 148.96 39.67 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.23 0.538 . . . . 0.69 110.147 -176.398 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.37 130.6 50.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.276 -0.875 . . . . 0.59 109.109 -178.623 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.0 m -122.35 107.07 11.66 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.262 -0.426 . . . . 0.22 110.855 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.64 130.46 35.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.434 -0.95 . . . . 0.22 108.434 171.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.827 ' HB3' HG22 ' A' ' 37' ' ' VAL . 7.0 ptt180 -140.6 136.21 32.55 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.045 0.45 . . . . 1.93 110.475 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.539 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 90.1 p -67.14 156.53 35.95 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.304 -0.862 . . . . 0.27 110.799 -171.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' HA2' ' A' ' 14' ' ' GLY . 39.3 p -61.28 -23.95 66.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.142 0.496 . . . . 0.97 110.54 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.45 -0.796 . . . . 2.57 110.271 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.57 12.62 60.79 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.542 -0.754 . . . . 1.07 111.955 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -58.91 1.87 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.842 0.354 . . . . 2.64 111.376 -176.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.4 tttp -72.46 119.72 17.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.134 -0.485 . . . . 1.2 109.932 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.827 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.1 t -135.14 128.54 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.051 -0.722 . . . . 0.83 109.051 -178.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.538 ' O ' ' HA ' ' A' ' 28' ' ' THR . 6.4 m80 -128.42 134.12 48.72 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.241 -0.651 . . . . 0.33 109.241 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.29 125.8 48.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.285 0.564 . . . . 0.32 111.572 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.7 102.84 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.094 0.958 . . . . 0.23 110.705 -176.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -67.71 117.16 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.466 0.65 . . . . 0.63 109.562 175.495 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.72 -14.61 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.075 -0.966 . . . . 1.24 112.682 -169.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 35.0 t -65.9 -17.26 64.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.672 0.272 . . . . 1.08 110.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -97.64 4.59 50.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.797 0.332 . . . . 0.36 110.613 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 8.0 mm -104.86 136.87 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.496 -0.32 . . . . 0.36 110.282 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' O ' ' HE3' ' A' ' 112' ' ' LYS . 29.7 t70 -92.34 -42.59 9.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.91 0.386 . . . . 0.7 110.844 -177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HB3' HG13 ' A' ' 63' ' ' ILE . 20.7 tptm -145.19 173.86 11.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.338 0.589 . . . . 1.56 110.278 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.48 154.31 45.46 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.732 -0.84 . . . . 1.37 108.732 168.575 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.5 mm-40 -143.87 149.36 36.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.577 -0.738 . . . . 2.28 110.079 -170.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -125.88 163.49 22.83 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.894 -0.323 . . . . 0.43 110.467 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' MET . 0.6 OUTLIER -66.16 143.75 98.48 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 112.027 0.38 . . . . 0.55 112.027 -178.456 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.94 143.18 83.27 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.255 2.637 . . . . 1.1 111.827 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.76 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 1.58 112.537 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 p -82.16 -1.63 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.153 0.501 . . . . 1.55 111.227 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -105.46 138.45 41.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 1.32 109.743 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.674 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 29.5 tt0 -77.75 -34.8 52.33 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.858 -0.61 . . . . 2.37 110.18 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.63 127.24 30.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.509 -0.769 . . . . 2.29 110.617 -174.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 12.4 mtm -96.75 122.41 39.67 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.355 -0.839 . . . . 1.13 110.845 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.574 ' HB3' HG23 ' A' ' 51' ' ' THR . 19.0 tpp -151.37 141.5 22.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.63 110.868 -172.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.7 mm? -119.5 142.73 48.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.48 109.326 170.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.6 mtm180 -114.59 146.04 41.27 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.695 -0.684 . . . . 2.37 110.195 172.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -115.15 113.57 24.14 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.147 -0.933 . . . . 0.7 108.828 174.174 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.677 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.4 mm -86.79 97.33 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 107.72 -1.215 . . . . 0.41 107.72 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -69.82 146.13 42.85 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.165 -1.017 . . . . 0.37 112.307 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -65.22 156.94 30.22 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.181 0.515 . . . . 1.16 110.331 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG21 ' CB ' ' A' ' 82' ' ' PRO . 11.1 m -115.38 113.26 42.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 CA-C-N 115.655 -0.702 . . . . 1.48 110.364 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 9.4 p-10 -104.4 82.05 1.88 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.246 -1.02 . . . . 4.14 108.246 172.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.14 -50.86 65.97 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 113.769 1.026 . . . . 4.61 113.769 -159.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -100.64 -59.37 1.71 Allowed 'General case' 0 C--O 1.235 0.297 0 C-N-CA 117.903 -1.519 . . . . 4.68 110.877 166.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 1.1 mmpt? -141.18 -38.79 0.41 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 121.69 0.757 . . . . 6.99 110.923 161.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -95.06 160.91 14.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 114.537 -1.21 . . . . 8.2 110.377 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 10.8 ptp85 -135.85 104.71 5.83 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.151 0.797 . . . . 10.67 113.151 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -155.74 119.6 4.48 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.869 1.433 . . . . 8.97 114.869 164.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.707 ' HB3' ' C ' ' A' ' 79' ' ' GLU . 6.5 p-10 -110.2 -155.09 0.55 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.804 -1.184 . . . . 8.74 107.804 163.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -32.58 72.75 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.315 . . . . 11.37 110.151 173.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -89.76 -39.02 13.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.097 0.475 . . . . 11.2 110.434 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' HA2' ' HA ' ' A' ' 73' ' ' LYS . . . 124.39 37.26 0.57 Allowed Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.852 -0.69 . . . . 8.81 113.911 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -105.72 -51.8 2.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.293 0.568 . . . . 8.6 109.516 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.707 ' C ' ' HB3' ' A' ' 74' ' ' ASP . 27.2 tt0 152.01 -52.66 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.857 -2.275 . . . . 8.38 104.857 170.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.67 151.77 26.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 112.06 -2.337 . . . . 5.39 108.103 167.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 6.7 p -53.67 98.86 0.19 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 122.259 1.028 . . . . 4.27 110.691 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.592 ' CB ' HG21 ' A' ' 66' ' ' VAL . 20.8 Cg_endo -91.82 168.64 3.11 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 124.201 3.267 . . . . 2.92 114.918 -162.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -105.79 106.8 57.83 Favored Pre-proline 0 N--CA 1.436 -1.169 0 CA-C-N 115.332 -0.849 . . . . 4.42 109.834 158.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.589 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 32.1 Cg_exo -65.15 152.16 83.17 Favored 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 124.564 3.509 . . . . 0.94 113.487 -177.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HG2' ' H ' ' A' ' 85' ' ' GLN . 18.5 pt20 -84.27 114.85 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.465 -0.789 . . . . 2.01 110.031 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 63' ' ' ILE . 14.6 mtm180 -102.72 136.0 43.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.63 0.728 . . . . 2.24 112.745 -173.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 89.1 m-70 -108.35 124.84 50.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.546 -1.206 . . . . 0.6 108.429 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.5 ttm -118.06 129.62 55.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.789 -0.365 . . . . 0.73 110.868 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -130.56 137.93 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.94 110.142 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.1 t -100.96 134.17 44.35 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.623 0.249 . . . . 1.3 111.299 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.833 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 89.7 m-85 -113.1 177.39 4.65 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.631 -0.507 . . . . 0.32 109.631 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.46 34.5 2.05 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.677 -0.692 . . . . 1.17 110.503 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -154.67 131.04 10.45 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.46 -0.791 . . . . 1.62 109.867 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.674 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 22.0 mmt180 -68.1 -36.87 80.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.494 -0.775 . . . . 3.68 111.991 -173.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 m -63.8 -48.46 76.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.5 110.36 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 100' ' ' ILE . 54.3 t -49.4 -53.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.27 110.88 174.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.49 ' CE ' ' HB1' ' A' ' 50' ' ' ALA . 10.6 mtp -47.54 -54.05 12.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.015 0.376 . . . . 0.84 112.015 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 36.2 t70 -65.67 -38.53 89.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 0.67 111.418 -175.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -68.1 -51.48 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.55 110.742 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.768 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.8 mm -59.73 -40.98 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.676 -0.49 . . . . 0.22 109.676 175.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 28.4 mtmt -51.3 -63.41 1.14 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.92 110.284 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mtm -58.73 -44.88 90.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.051 -0.977 . . . . 1.41 111.98 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.433 HG21 ' HA ' ' A' ' 3' ' ' HIS . 65.9 m -54.31 -54.37 41.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.27 110.878 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.6 mp -69.97 -49.31 53.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.3 -0.63 . . . . 1.03 109.3 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.4 tm0? -47.9 -56.21 8.08 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.297 -0.865 . . . . 1.72 112.553 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -66.29 -46.13 78.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.55 0.204 . . . . 2.21 111.55 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 25' ' ' ALA . 77.3 mt -60.98 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.39 110.591 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.1 mt -55.39 -52.19 48.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.4 110.678 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.8 m -62.91 -19.91 64.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.227 -0.442 . . . . 1.32 111.663 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -29.36 27.81 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.156 0.503 . . . . 2.87 109.953 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.56 -16.31 29.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.495 0.664 . . . . 2.75 109.713 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' ' 46' ' ' ASP . 29.1 tttt -72.01 -55.95 6.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.862 -1.063 . . . . 1.63 110.027 177.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -76.59 -33.02 58.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.168 -0.924 . . . . 1.6 109.84 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.47 24.24 10.39 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.23 -1.35 . . . . 1.33 112.126 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.452 -0.785 . . . . 2.23 110.25 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 111.671 0.249 . . . . 3.79 111.671 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.43 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 14.3 t -74.79 -36.24 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.053 -0.405 . . . . 2.78 111.736 -174.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.78 -25.59 67.98 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.146 -0.687 . . . . 3.58 109.146 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.607 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 t70 -80.0 -42.49 23.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.194 -0.912 . . . . 2.67 109.748 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.82 -31.57 64.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 2.16 111.074 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' B' ' 23' ' ' THR . 8.3 m-85 -69.79 -13.23 62.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 1.84 112.551 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -107.16 -19.56 13.57 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.1 -0.64 . . . . 2.39 110.127 171.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 31.9 mmmt -69.67 -47.63 62.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 2.91 110.826 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -61.73 -22.79 65.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 1.06 110.924 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -46.73 21.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.02 110.274 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -76.44 -33.18 58.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.636 -0.711 . . . . 3.37 110.692 -176.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -68.81 -36.16 77.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 1.9 110.872 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.82 -34.27 73.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 2.32 110.478 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.25 -34.61 73.05 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.244 0.545 . . . . 3.14 109.926 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.579 ' HA ' ' O ' ' B' ' 39' ' ' MET . . . -70.34 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 2.58 111.471 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -67.55 -34.79 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.965 -0.383 . . . . 3.65 109.965 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -94.69 -48.71 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 3.22 110.318 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' MET . . . . . 0.579 ' O ' ' HA ' ' B' ' 36' ' ' ALA . 22.5 ptm -114.28 98.54 6.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.456 0.646 . . . . 4.43 110.665 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.678 -1.068 . . . . 6.18 111.548 -179.231 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.476 0.496 0 N-CA-C 110.883 -0.468 . . . . 3.6 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 99' ' ' ASN . 35.6 p -148.78 -35.72 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 1.99 110.71 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.458 ' HA ' HG21 ' A' ' 103' ' ' THR . 37.1 m80 -77.4 -17.6 58.01 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.366 -0.379 . . . . 0.61 111.636 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.606 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.6 p -148.51 162.59 39.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.736 0.779 . . . . 0.28 112.956 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.21 153.84 8.69 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 113.88 -1.509 . . . . 0.15 110.16 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.5 119.2 11.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.327 0.584 . . . . 0.19 112.187 -171.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.76 177.13 7.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.842 -1.072 . . . . 0.16 109.962 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.646 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.11 137.27 56.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 110.307 -0.257 . . . . 0.36 110.307 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.695 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 54.5 t80 -150.44 134.46 16.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.628 -0.879 . . . . 0.39 108.628 -178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.695 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.5 mt-10 65.02 32.42 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.069 0.461 . . . . 1.33 110.919 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.5 mmtm 68.81 -8.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.045 -0.98 . . . . 2.23 112.895 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.538 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -95.5 148.37 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.742 -0.836 . . . . 0.26 108.742 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.646 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.4 m -99.34 151.91 20.54 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.862 -0.608 . . . . 1.29 111.521 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.578 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.34 -143.79 4.55 Favored Glycine 0 CA--C 1.5 -0.845 0 C-N-CA 120.883 -0.675 . . . . 0.17 112.824 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -124.54 143.36 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 110.144 -0.317 . . . . 0.18 110.144 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.46 131.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.048 -1.464 . . . . 0.17 107.048 172.376 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.79 110.71 6.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.126 0.417 . . . . 0.15 112.126 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -93.22 129.39 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.065 0.46 . . . . 0.23 110.391 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -114.84 124.35 51.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.413 -0.812 . . . . 1.36 110.194 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 24.1 mt-10 -120.52 72.5 0.96 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.067 -1.086 . . . . 1.47 108.067 168.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.34 -23.77 10.16 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 123.315 1.531 . . . . 3.67 108.423 166.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.0 -170.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 111.709 -2.496 . . . . 0.9 112.128 -161.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.46 169.81 16.7 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 105.752 -1.944 . . . . 1.23 105.752 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.614 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 76.2 Cg_exo -32.84 125.01 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.627 2.218 . . . . 0.56 113.52 -145.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.564 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.0 132.33 0.52 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 125.512 1.757 . . . . 0.27 112.237 -169.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.08 144.28 43.88 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.241 -0.584 . . . . 0.69 110.112 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -102.91 127.44 50.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.083 -0.962 . . . . 0.59 108.69 179.107 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.5 m -117.34 106.75 13.58 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.958 -0.565 . . . . 0.22 110.453 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.61 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 73.1 t90 -89.78 120.53 31.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.931 -1.137 . . . . 0.22 107.931 170.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.745 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 24.4 ptt85 -129.45 128.86 43.8 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.96 -0.563 . . . . 1.93 109.871 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 53.9 p -61.2 145.04 52.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.262 0.553 . . . . 0.27 111.054 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.488 ' H ' ' HA2' ' A' ' 14' ' ' GLY . 14.8 t -80.26 -7.53 59.06 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.603 -1.258 . . . . 0.97 107.603 172.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.17 22.25 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.074 -1.876 . . . . 2.57 111.4 -176.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.9 23.16 5.41 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.263 -0.97 . . . . 1.07 113.531 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 67.83 57.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.801 0.81 . . . . 2.64 112.317 166.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.745 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.3 tttt -82.25 117.14 22.14 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.533 -1.284 . . . . 1.2 107.533 166.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CB ' ' A' ' 30' ' ' ARG . 22.4 t -115.72 130.71 69.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.229 0.538 . . . . 0.83 111.982 -164.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -133.02 122.52 24.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.568 -0.901 . . . . 0.33 108.568 177.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.89 124.47 52.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.522 0.677 . . . . 0.32 111.866 -172.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -105.59 101.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.744 -1.116 . . . . 0.23 109.914 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.5 115.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.327 -0.99 . . . . 0.63 108.327 172.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 70.0 mt -61.44 -23.41 65.83 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.607 -1.179 . . . . 1.24 112.775 -167.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.614 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 22.7 t -54.28 -17.09 2.56 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.08 -0.388 . . . . 1.08 111.548 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -93.64 1.77 56.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 120.678 0.275 . . . . 0.36 111.281 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.9 mm -99.63 141.48 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.922 0.391 . . . . 0.36 111.094 -177.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.649 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 24.1 t70 -103.17 -48.46 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.7 110.549 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' A' ' 48' ' ' LEU . 19.6 tptm -134.52 172.97 12.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.165 0.507 . . . . 1.56 110.134 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.55 142.34 33.53 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.845 -0.798 . . . . 1.37 108.845 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.0 mt-30 -136.34 160.47 38.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.626 -0.261 . . . . 2.28 110.396 -177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.652 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -149.33 166.18 29.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.156 -0.474 . . . . 0.43 110.319 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 59' ' ' MET . 2.6 p -82.96 149.27 58.98 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.955 0.407 . . . . 0.55 111.415 177.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HG3' ' CG ' ' B' ' 34' ' ' GLU . 21.1 Cg_endo -61.12 138.38 77.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.085 2.524 . . . . 1.1 111.532 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -15.1 62.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.58 111.396 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 p -73.79 -16.29 61.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 1.55 110.682 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 151.05 19.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.935 -0.575 . . . . 1.32 109.548 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -69.52 -48.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.451 -0.341 . . . . 2.37 110.506 176.221 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 56' ' ' GLU . 4.2 ptpp? -71.3 124.11 23.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.632 -0.713 . . . . 2.29 111.503 -168.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -94.78 112.54 24.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.273 -0.876 . . . . 1.13 109.323 -177.297 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 12.0 tpp -131.71 135.71 47.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.415 -0.357 . . . . 0.63 110.882 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -117.14 148.15 41.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.917 -0.583 . . . . 0.48 109.478 173.502 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 96.1 mtt180 -121.23 147.86 45.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.45 0.643 . . . . 2.37 111.347 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -111.1 107.13 16.4 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 107.512 -1.292 . . . . 0.7 107.512 170.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.518 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.49 98.13 7.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.304 -0.999 . . . . 0.41 108.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -73.93 141.13 28.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.177 -1.011 . . . . 0.37 112.443 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 18.2 mttt -60.18 134.75 57.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 107.696 -1.224 . . . . 1.16 107.696 174.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' OE1' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -102.95 103.34 14.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.697 1.237 . . . . 1.48 111.182 -168.644 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -112.19 90.82 3.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.359 -1.746 . . . . 4.14 108.86 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.534 ' OE1' HG23 ' A' ' 66' ' ' VAL . 12.3 mp0 -73.29 -58.05 3.58 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 117.594 -1.642 . . . . 4.61 110.841 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -107.23 -52.07 2.82 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 119.935 -0.706 . . . . 4.68 112.593 164.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -136.08 -11.52 1.96 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.364 -0.834 . . . . 6.99 112.627 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -49.14 132.29 19.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.24 1.2 . . . . 8.2 114.24 -161.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.47 171.82 13.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.696 -1.593 . . . . 10.67 110.661 -176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 9.9 mtmp? -70.87 171.92 9.82 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.77 -1.105 . . . . 8.97 109.978 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 78' ' ' ASN . 15.5 t70 -64.82 174.1 2.0 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.395 -0.366 . . . . 8.74 111.947 -172.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -64.52 -31.88 73.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.073 0.463 . . . . 11.37 110.503 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.21 2.13 54.85 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.964 0.888 . . . . 11.2 108.619 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 94.35 -56.83 2.04 Favored Glycine 0 N--CA 1.431 -1.652 0 CA-C-N 114.164 -1.38 . . . . 8.81 109.919 -172.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.694 ' HB3' HG13 ' A' ' 80' ' ' VAL . 1.8 t-20 55.34 -14.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.232 1.013 . . . . 8.6 113.058 -173.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt-20 32.86 63.69 0.3 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.282 1.033 . . . . 8.38 111.702 -161.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.694 HG13 ' HB3' ' A' ' 78' ' ' ASN . 4.2 m -76.71 148.86 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.164 -0.925 . . . . 5.39 109.357 177.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.3 101.32 38.16 Favored Pre-proline 0 N--CA 1.431 -1.392 0 CA-C-O 122.009 0.909 . . . . 4.27 109.984 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HG2' HG13 ' A' ' 66' ' ' VAL . 49.1 Cg_endo -85.61 171.82 8.3 Favored 'Trans proline' 0 N--CA 1.441 -1.59 0 C-N-CA 123.323 2.682 . . . . 2.92 109.58 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 22.3 pttp -63.84 106.02 0.83 Allowed Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 4.42 111.907 -175.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 6.0 Cg_exo -83.42 157.11 14.5 Favored 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 124.491 3.461 . . . . 0.94 114.691 -172.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -91.7 113.69 26.03 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.347 -1.353 . . . . 2.01 107.347 162.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HG2' HD13 ' A' ' 63' ' ' ILE . 20.0 mtm180 -100.8 146.79 26.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.756 0.789 . . . . 2.24 112.541 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -115.55 136.88 52.63 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.296 . . . . 0.6 107.999 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -125.61 133.44 52.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.19 -0.604 . . . . 0.73 111.258 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE1' HD23 ' A' ' 62' ' ' LEU . 20.6 m-85 -128.57 139.09 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.94 109.996 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.6 t -110.91 136.57 49.74 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.581 -0.281 . . . . 1.3 110.452 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 41.9 m-85 -112.35 178.76 4.19 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.624 -0.88 . . . . 0.32 108.624 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.497 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 21.0 p30 -130.69 33.78 4.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.357 0.598 . . . . 1.17 110.207 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.466 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 24.6 t-20 -153.72 123.45 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.331 -0.85 . . . . 1.62 109.544 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -62.15 -38.47 89.12 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 3.68 111.309 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 58.6 m -64.54 -51.53 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.51 -0.314 . . . . 0.5 110.816 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.3 t -48.13 -58.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.863 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.656 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.6 ptm -55.29 -46.48 76.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.69 -0.404 . . . . 0.84 111.684 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.656 ' N ' ' HG3' ' A' ' 97' ' ' MET . 20.5 t70 -63.94 -40.21 95.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.511 -0.768 . . . . 0.67 111.706 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 2' ' ' SER . 7.0 m-20 -73.29 -44.83 58.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.044 -0.526 . . . . 1.55 111.132 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.811 ' O ' HD13 ' A' ' 104' ' ' LEU . 42.8 mm -58.12 -45.18 88.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 N-CA-C 109.182 -0.673 . . . . 0.22 109.182 170.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.652 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 19.9 mtmt -42.91 -64.04 0.69 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.222 0.534 . . . . 0.92 111.509 175.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.3 ttp -57.47 -52.59 64.75 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.893 -1.049 . . . . 1.41 111.798 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.458 HG21 ' HA ' ' A' ' 3' ' ' HIS . 57.2 m -50.51 -45.47 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.302 -0.863 . . . . 0.27 111.323 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.7 mp -75.15 -50.74 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.491 0.662 . . . . 1.03 109.314 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -58.24 -44.66 88.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.476 -1.238 . . . . 1.72 112.368 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 84.4 mm-40 -63.3 -45.92 89.13 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.487 -0.133 . . . . 2.21 111.226 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 25' ' ' ALA . 80.2 mt -56.35 -44.01 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.706 -0.479 . . . . 0.39 109.706 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.814 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 70.1 mt -58.08 -54.9 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 115.489 -0.778 . . . . 0.4 110.776 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -59.86 -22.35 62.19 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.6 -0.727 . . . . 1.32 110.833 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 97.5 mtt180 -72.45 -46.1 56.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.098 -0.501 . . . . 2.87 110.771 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 -86.39 2.76 46.42 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.581 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.649 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 30.1 mttm -80.34 -37.95 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.391 0.615 . . . . 1.63 109.769 168.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.37 -37.37 19.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.13 -0.941 . . . . 1.6 109.888 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.01 20.25 12.12 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.196 -1.365 . . . . 1.33 112.691 169.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.646 -0.692 . . . . 2.23 110.969 -178.164 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.441 0.162 . . . . 3.79 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.422 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 22.6 p -71.92 -30.81 65.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.887 0.328 . . . . 2.78 111.887 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -58.83 -27.5 65.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 3.58 110.598 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.03 -34.35 68.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 2.67 110.306 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' B' ' 23' ' ' THR . 61.0 m-20 -65.15 -27.38 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.537 -0.756 . . . . 2.16 110.525 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.809 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 52.1 m-85 -66.51 -18.03 65.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.992 -0.549 . . . . 1.84 111.789 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 9.6 mp -81.2 -45.46 16.3 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.719 -0.474 . . . . 2.39 109.719 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.72 -46.91 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 2.91 112.318 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.809 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 29.0 p-90 -68.64 -23.49 64.43 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.234 -0.587 . . . . 1.06 110.815 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.92 -46.21 15.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.868 0.366 . . . . 1.02 110.162 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 21.7 mmm180 -64.64 -45.23 87.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.322 -0.399 . . . . 3.37 110.666 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -61.66 -29.9 70.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 1.9 110.554 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 6.4 tp10 -76.99 -45.96 25.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 2.32 110.712 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.45 -26.7 64.72 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.143 0.497 . . . . 3.14 110.387 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.68 -23.0 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 2.58 111.039 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -71.25 -32.34 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 3.65 110.012 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.72 -46.05 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.582 . . . . 3.22 110.045 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.5 mtm -93.78 43.52 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.564 -0.743 . . . . 4.43 110.431 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.893 0 CA-C-O 118.934 -0.926 . . . . 6.18 111.648 -176.327 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.474 0.328 0 N-CA-C 110.42 -0.646 . . . . 3.6 110.42 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -72.72 -53.79 10.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 1.99 111.168 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.44 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.9 m80 -93.08 -0.18 57.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.56 . . . . 0.61 112.03 -173.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.5 p -152.15 161.93 41.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.864 0.84 . . . . 0.28 112.778 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.02 149.47 7.51 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 113.903 -1.499 . . . . 0.15 110.413 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.83 117.74 9.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.37 0.605 . . . . 0.19 111.476 -174.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.799 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.64 170.67 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.024 -0.989 . . . . 0.16 109.776 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.66 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -129.74 134.34 63.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 109.578 -0.527 . . . . 0.36 109.578 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 45.4 t80 -147.35 130.36 16.31 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.276 -0.638 . . . . 0.39 109.276 -174.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.644 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.2 mt-10 62.35 40.56 11.08 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.279 0.561 . . . . 1.33 111.133 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 6.3 mptt 64.86 4.1 2.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.933 -1.031 . . . . 2.23 113.289 177.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.8 p -112.39 148.53 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.646 -0.502 . . . . 0.26 109.646 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.66 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 t -97.04 153.39 17.96 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.815 -0.63 . . . . 1.29 111.957 -174.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -175.08 -150.31 7.78 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.431 -0.804 . . . . 0.17 111.968 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.48 146.03 29.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.58 -0.526 . . . . 0.18 109.58 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -99.91 131.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.104 -1.443 . . . . 0.17 107.104 171.256 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.74 113.4 8.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.847 0.356 . . . . 0.15 111.554 -170.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.702 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -93.46 125.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.546 0.689 . . . . 0.23 111.711 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.59 141.12 31.82 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.395 -1.275 . . . . 1.36 110.662 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 22' ' ' VAL . 34.0 mt-10 -115.81 -147.18 0.41 Allowed 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 103.473 -2.788 . . . . 1.47 103.473 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -31.04 31.54 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 130.377 3.471 . . . . 3.67 118.271 -141.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.8 m -95.69 -166.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.869 0 CA-C-N 113.09 -1.868 . . . . 0.9 106.77 171.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.1 m -69.52 159.28 84.28 Favored Pre-proline 0 C--N 1.31 -1.151 0 N-CA-C 105.805 -1.924 . . . . 1.23 105.805 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.1 Cg_exo -36.18 127.14 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.458 2.105 . . . . 0.56 113.262 -149.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -34.79 128.93 0.45 Allowed 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.007 1.442 . . . . 0.27 111.667 -165.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -128.93 141.91 51.11 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.812 -0.631 . . . . 0.69 111.217 -168.168 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -102.56 129.78 49.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.561 -0.903 . . . . 0.59 108.561 177.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -122.39 107.93 12.63 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.513 -0.312 . . . . 0.22 111.22 -171.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.1 t90 -91.07 118.2 30.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.884 -0.726 . . . . 0.22 109.042 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.826 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.2 ptt180 -119.5 130.31 55.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.836 -0.62 . . . . 1.93 110.09 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.1 p -65.78 151.86 45.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.124 -0.489 . . . . 0.27 110.014 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.6 p -49.76 -38.38 33.64 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.97 111.347 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.26 -28.59 69.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.53 -0.759 . . . . 2.57 111.573 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.76 11.94 57.36 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.742 -0.663 . . . . 1.07 111.571 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.17 -47.28 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.014 0.435 . . . . 2.64 111.409 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.0 mttt -90.68 133.04 35.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.174 -0.466 . . . . 1.2 110.744 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.826 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -143.44 117.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.651 -0.87 . . . . 0.83 108.651 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -120.64 114.67 22.03 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.241 -0.652 . . . . 0.33 109.241 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.81 125.81 49.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.422 0.629 . . . . 0.32 111.429 -172.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.99 100.96 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.972 -1.013 . . . . 0.23 110.146 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.6 113.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.573 -0.899 . . . . 0.63 108.573 175.05 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.6 -22.3 8.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.894 1.072 . . . . 1.24 113.894 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 40.9 m -62.37 -16.87 57.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 1.08 111.363 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -102.03 8.45 40.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.36 110.717 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.8 mm -109.45 142.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.299 -0.41 . . . . 0.36 110.722 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 18.5 t70 -109.13 -40.07 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.086 -0.506 . . . . 0.7 111.353 -173.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.6 tmtp? -135.27 174.74 10.27 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.181 0.515 . . . . 1.56 111.154 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -144.72 139.53 27.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.233 -0.894 . . . . 1.37 109.219 177.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 96.7 mt-30 -133.18 151.94 51.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.639 -0.255 . . . . 2.28 110.403 -177.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.41 145.54 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.46 -0.336 . . . . 0.43 110.461 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -73.48 151.94 89.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 0.55 111.293 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.37 124.88 17.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.041 2.494 . . . . 1.1 111.774 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.67 -18.5 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 1.58 111.22 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -70.77 -16.73 62.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.839 -0.618 . . . . 1.55 110.945 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -89.8 164.06 14.8 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.999 -0.546 . . . . 1.32 110.161 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 2.0 tt0 -63.82 -44.74 92.35 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.29 0.567 . . . . 2.37 110.097 171.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HD2' ' HG2' ' A' ' 56' ' ' GLU . 31.7 mmmt -74.59 142.92 44.6 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.371 -0.832 . . . . 2.29 111.866 -168.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -137.27 113.0 9.52 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.182 -0.917 . . . . 1.13 110.161 -174.253 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.595 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 5.4 tpp -144.02 143.53 31.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.48 -0.782 . . . . 0.63 111.411 -170.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.8 mm? -116.43 147.37 41.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.04 0.448 . . . . 0.48 109.801 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.546 ' NE ' ' HD2' ' A' ' 86' ' ' ARG . 73.9 mtt180 -121.06 146.13 47.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.597 0.713 . . . . 2.37 111.542 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -111.49 105.02 13.48 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.238 -1.346 . . . . 0.7 108.43 173.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 14.0 mm -87.11 99.91 9.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.787 -0.82 . . . . 0.41 108.787 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -64.67 155.59 47.56 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.849 -0.691 . . . . 0.37 113.103 -174.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 60.0 mttt -76.38 155.39 34.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.98 0.895 . . . . 1.16 112.439 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.27 149.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 113.687 -1.597 . . . . 1.48 108.237 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 10.0 t70 -59.11 142.28 51.91 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.787 -0.449 . . . . 4.14 109.787 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.22 -32.08 69.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.305 -0.861 . . . . 4.61 112.687 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -91.46 -8.62 47.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.141 0.496 . . . . 4.68 110.689 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HB3' HG12 ' A' ' 81' ' ' VAL . 59.9 mmtt -101.5 4.03 40.77 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.611 0.72 . . . . 6.99 110.741 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' O ' HG21 ' A' ' 80' ' ' VAL . 36.4 tttt -53.7 164.81 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.527 -1.215 . . . . 8.2 110.157 172.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -51.04 167.06 0.08 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.649 0.593 . . . . 10.67 112.556 -162.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.41 145.9 52.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.938 0.875 . . . . 8.97 112.646 -157.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 17.5 t70 -97.18 -176.28 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.964 -1.471 . . . . 8.74 112.158 -163.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.441 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 33.4 m-80 -62.27 -33.34 74.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.937 0.399 . . . . 11.37 111.223 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.56 8.37 41.89 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.766 -0.827 . . . . 11.2 108.766 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 99.86 -56.95 0.84 Allowed Glycine 0 N--CA 1.434 -1.467 0 CA-C-N 114.573 -1.194 . . . . 8.81 110.772 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 1.3 t-20 59.42 -13.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.925 0.89 . . . . 8.6 112.602 -173.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' A' ' 77' ' ' GLY . 6.3 pt-20 27.87 71.73 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.374 1.07 . . . . 8.38 111.987 -165.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.499 HG13 ' HB3' ' A' ' 78' ' ' ASN . 32.4 m -76.33 154.14 5.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.297 -1.319 . . . . 5.39 110.629 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG12 ' HB3' ' A' ' 70' ' ' LYS . 12.2 p -44.65 133.89 4.8 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 123.691 0.619 . . . . 4.27 110.037 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.28 174.79 0.43 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.438 2.759 . . . . 2.92 113.866 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 67.9 mttm -38.09 141.97 0.49 Allowed Pre-proline 0 N--CA 1.466 0.345 0 C-N-CA 123.971 0.908 . . . . 4.42 113.008 -176.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.563 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 71.4 Cg_exo -44.91 134.54 10.62 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 124.966 3.777 . . . . 0.94 113.47 -173.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.313 -0.858 . . . . 2.01 109.877 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HD2' ' NE ' ' A' ' 61' ' ' ARG . 21.0 ttp180 -111.16 140.18 45.92 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.654 -0.703 . . . . 2.24 112.71 -167.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.8 m-70 -102.69 155.67 18.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.48 -0.933 . . . . 0.6 108.48 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.1 ttm -138.49 133.01 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.1 -0.24 . . . . 0.73 110.408 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -127.52 137.74 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.932 -0.396 . . . . 0.94 109.932 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 30.2 m -100.88 129.14 46.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.054 -0.521 . . . . 1.3 111.325 -175.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.799 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.6 m-85 -113.42 177.59 4.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.32 111.01 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -134.01 26.76 3.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.06 -0.973 . . . . 1.17 110.736 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -160.88 131.26 5.19 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.146 -0.316 . . . . 1.62 110.146 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 8.5 mpt_? -67.48 -30.89 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.361 -0.381 . . . . 3.68 111.062 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -61.84 -53.3 57.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.923 0.392 . . . . 0.5 110.213 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 91' ' ' PHE . 80.9 t -52.57 -49.11 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.27 110.428 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 62.2 mmm -45.88 -57.3 4.46 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.607 0.595 . . . . 0.84 112.607 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 14.2 t70 -66.15 -38.99 89.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -174.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.59 -56.09 9.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 1.55 110.997 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.1 mm -59.05 -39.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.22 109.964 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 18.1 mtmt -49.75 -64.1 0.91 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.502 0.668 . . . . 0.92 110.619 174.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.2 ttm -58.52 -49.87 75.83 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 114.248 -1.342 . . . . 1.41 112.046 -176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.44 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.6 m -52.19 -46.68 65.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.27 111.887 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.5 mp -77.04 -50.48 13.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 1.03 109.661 -175.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.51 -47.9 63.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.768 -1.106 . . . . 1.72 111.88 -178.338 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 59.8 mt-30 -62.03 -47.37 85.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.717 0.294 . . . . 2.21 111.111 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 70.5 mt -62.9 -41.59 93.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.239 -0.437 . . . . 0.39 110.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 67.9 mt -59.58 -47.0 92.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.281 -0.418 . . . . 0.4 110.015 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.5 t -57.38 -34.57 68.99 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.07 -0.514 . . . . 1.32 110.926 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.2 mtt180 -60.91 -41.41 96.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.117 0.484 . . . . 2.87 110.566 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -94.55 3.66 54.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.77 0.795 . . . . 2.75 109.789 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 108' ' ' ILE . 28.0 tttm -92.62 -50.91 5.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.564 -1.198 . . . . 1.63 108.831 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.46 -36.0 78.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.522 -1.217 . . . . 1.6 109.012 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.82 26.27 6.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 113.708 -1.587 . . . . 1.33 111.659 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.567 -0.73 . . . . 2.23 109.855 176.69 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.464 0.173 . . . . 3.79 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.48 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 7.1 t -88.34 -26.57 22.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.211 0.529 . . . . 2.78 110.98 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 15.7 mm-40 -67.69 -23.72 65.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.515 -0.92 . . . . 3.58 108.515 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -78.98 -43.06 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.916 -1.038 . . . . 2.67 110.648 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.48 ' OD2' ' HA ' ' B' ' 23' ' ' THR . 0.9 OUTLIER -64.23 -21.06 66.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.13 0.49 . . . . 2.16 110.275 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -65.91 -13.0 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.354 -0.839 . . . . 1.84 110.975 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.08 -24.1 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.295 -0.253 . . . . 2.39 111.141 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 17.4 ptmt -85.55 -34.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.989 -0.284 . . . . 2.91 111.427 -173.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.8 p-90 -59.57 -26.62 65.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.15 0.5 . . . . 1.06 110.165 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' TRP . . . . . 0.595 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 2.5 t-105 -60.25 -47.05 87.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.399 -0.819 . . . . 1.02 110.847 -178.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 35.4 ptt180 -84.28 -15.85 45.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.782 -0.645 . . . . 3.37 110.42 -176.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -73.14 -35.03 66.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.253 -0.647 . . . . 1.9 109.253 172.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 12.0 mm-40 -74.72 -38.59 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.495 -0.775 . . . . 2.32 110.116 175.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.66 -29.34 69.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.213 0.53 . . . . 3.14 109.906 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -19.37 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.812 -0.631 . . . . 2.58 111.072 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.16 -17.19 60.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.062 0.458 . . . . 3.65 110.762 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -100.07 -24.94 14.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.402 0.62 . . . . 3.22 109.739 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 58.5 ttp -79.86 -31.94 40.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.81 . . . . 4.43 110.73 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.326 -1.263 . . . . 6.18 111.428 -179.558 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.515 ' HG2' ' OG ' ' A' ' 4' ' ' SER . 1.9 Cg_endo . . . . . 0 N--CA 1.476 0.445 0 N-CA-C 110.053 -0.787 . . . . 3.6 110.053 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 99' ' ' ASN . 32.8 p -75.97 -43.48 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.047 0.451 . . . . 1.99 110.755 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -91.17 4.18 52.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.547 0.573 . . . . 0.61 112.547 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 16.7 p -162.16 159.59 26.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.7 0.762 . . . . 0.28 112.828 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.69 151.01 9.19 Favored Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 114.216 -1.356 . . . . 0.15 110.427 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.633 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.75 115.58 9.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.232 0.539 . . . . 0.19 112.146 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.834 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.28 173.55 8.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.18 -0.918 . . . . 0.16 110.23 -175.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -129.51 137.52 56.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 110.044 -0.354 . . . . 0.36 110.044 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 45.8 t80 -149.98 129.87 13.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.293 -0.632 . . . . 0.39 109.293 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 48.8 mt-10 63.2 42.2 7.3 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.309 0.576 . . . . 1.33 111.244 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -4.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 2.23 113.183 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -104.89 147.71 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.641 -0.503 . . . . 0.26 109.641 175.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.636 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.4 t -96.28 157.02 16.09 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.59 -0.732 . . . . 1.29 111.348 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.12 -146.19 5.86 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.165 -0.925 . . . . 0.17 111.851 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.51 146.86 30.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.57 -0.53 . . . . 0.18 109.57 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.55 131.51 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.372 -1.344 . . . . 0.17 107.372 169.619 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 118.15 12.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.77 0.319 . . . . 0.15 111.775 -170.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.54 122.48 47.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.392 0.615 . . . . 0.23 110.68 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -99.66 145.85 27.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.76 -1.109 . . . . 1.36 109.751 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 22' ' ' VAL . 41.6 mt-10 -111.87 -146.27 0.41 Allowed 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 105.833 -1.914 . . . . 1.47 105.833 -174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.68 30.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 131.13 3.772 . . . . 3.67 118.295 -142.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 20' ' ' GLU . 32.9 m -94.88 -168.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.265 -3.106 0 CA-C-N 113.334 -1.757 . . . . 0.9 106.413 169.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -69.64 149.58 96.86 Favored Pre-proline 0 C--N 1.305 -1.333 0 N-CA-C 106.131 -1.803 . . . . 1.23 106.131 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 41' ' ' VAL . 83.9 Cg_exo -34.53 125.43 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.964 2.443 . . . . 0.56 113.977 -142.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -24.99 125.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 125.647 1.842 . . . . 0.27 112.694 -168.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 6.0 mt-10 -114.46 142.79 45.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.692 0.758 . . . . 0.69 111.047 -169.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -103.47 113.72 27.45 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.475 -1.305 . . . . 0.59 107.475 -176.064 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 8.5 m -115.43 107.84 15.71 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.931 -0.577 . . . . 0.22 111.2 -170.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 75.9 t90 -88.0 129.02 35.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.793 -1.188 . . . . 0.22 107.793 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.769 ' CB ' HG12 ' A' ' 37' ' ' VAL . 13.3 ptt180 -137.68 135.62 36.65 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.835 0.826 . . . . 1.93 110.831 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -64.88 151.71 44.87 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.045 -1.434 . . . . 0.27 110.472 -173.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.46 HG23 ' HA2' ' A' ' 14' ' ' GLY . 19.8 p -53.47 -25.91 18.3 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.278 0.844 . . . . 0.97 113.278 -169.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -83.28 -22.76 32.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.186 0.517 . . . . 2.57 111.034 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 6.23 58.87 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.999 -0.62 . . . . 1.07 112.155 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.84 -64.19 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.799 0.333 . . . . 2.64 111.342 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.4 tttp -85.05 119.44 25.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.019 -0.537 . . . . 1.2 111.007 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.769 HG12 ' CB ' ' A' ' 30' ' ' ARG . 12.6 m -129.88 150.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.387 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.568 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m-70 -142.61 120.59 12.06 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.453 -0.943 . . . . 0.33 108.453 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 HG23 ' OG1' ' A' ' 28' ' ' THR . 1.0 OUTLIER -109.63 116.87 32.53 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.667 0.746 . . . . 0.32 111.738 -172.591 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.556 ' CG1' HD11 ' A' ' 45' ' ' ILE . 58.0 t -103.77 99.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.87 -1.059 . . . . 0.23 110.755 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.84 116.99 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.901 -0.777 . . . . 0.63 108.901 175.238 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 25' ' ' ALA . 2.4 mm? -51.75 -23.2 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.067 1.136 . . . . 1.24 114.067 -172.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -68.5 -11.33 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.944 0.402 . . . . 1.08 111.005 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 p -100.65 6.77 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 0.36 110.526 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.57 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.0 mm -99.33 146.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.972 -0.558 . . . . 0.36 111.839 -178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -115.8 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.7 110.91 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 48.9 tptt -135.28 174.54 10.5 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.981 -0.378 . . . . 1.56 109.981 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.08 135.12 25.41 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.791 -0.818 . . . . 1.37 108.791 172.609 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 12.8 mm100 -125.32 147.03 49.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.266 -0.424 . . . . 2.28 110.153 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.68 155.12 48.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.103 -0.498 . . . . 0.43 109.981 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 59' ' ' MET . 5.8 p -75.39 152.94 85.85 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.92 0.39 . . . . 0.55 111.752 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.55 124.03 15.14 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.047 2.498 . . . . 1.1 111.852 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.05 -21.44 64.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.53 . . . . 1.58 111.402 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 p -68.92 -19.93 64.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 1.55 110.866 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -93.44 162.44 13.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.479 . . . . 1.32 109.808 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 1.8 tt0 -71.75 -41.92 67.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.163 0.506 . . . . 2.37 110.76 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -69.02 119.72 13.76 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.195 -0.911 . . . . 2.29 111.42 -166.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.649 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 15.5 mtm -101.77 112.72 25.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.933 -1.031 . . . . 1.13 110.036 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.475 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.4 tpp -140.32 141.3 35.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.009 -0.541 . . . . 0.63 110.238 -176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.674 HD11 ' HG3' ' A' ' 101' ' ' LYS . 2.2 mm? -116.81 150.82 37.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.173 -0.467 . . . . 0.48 110.147 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 82.6 mtt180 -126.37 133.85 51.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 2.37 110.932 170.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.883 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.3 mm? -96.6 107.17 19.55 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.913 -1.143 . . . . 0.7 107.913 171.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.8 mm -87.52 99.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 C-N-CA 120.11 -0.636 . . . . 0.41 109.472 -177.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.57 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.58 158.69 53.65 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.721 -0.951 . . . . 0.37 110.721 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -59.61 160.13 7.6 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.765 0.793 . . . . 1.16 110.049 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . 7.5 m -91.43 154.36 3.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.635 -1.166 . . . . 1.48 111.17 -166.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 69' ' ' SER . 3.8 m-20 -61.85 150.05 38.47 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.394 -1.275 . . . . 4.14 111.144 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 70' ' ' LYS . 8.4 mp0 -55.16 -0.57 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.817 -1.083 . . . . 4.61 113.37 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 67' ' ' ASP . 4.2 m -60.31 5.38 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.685 0.794 . . . . 4.68 112.332 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 68' ' ' GLU . 40.0 mttt -65.7 -8.92 23.47 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.041 0.536 . . . . 6.99 110.583 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -53.26 158.98 1.43 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.436 -0.802 . . . . 8.2 113.125 -176.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -57.6 173.2 0.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.766 -1.106 . . . . 10.67 112.031 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 61.3 mttp -65.38 146.16 55.25 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.998 -1.001 . . . . 8.97 110.607 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -82.03 -173.47 4.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.778 -1.101 . . . . 8.74 111.001 -168.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.19 -31.76 72.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.243 0.474 . . . . 11.37 111.349 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -92.43 6.45 46.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.618 0.723 . . . . 11.2 109.492 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 94.98 -57.25 1.8 Allowed Glycine 0 N--CA 1.433 -1.522 0 N-CA-C 109.934 -1.266 . . . . 8.81 109.934 -172.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.488 ' HB3' HG13 ' A' ' 80' ' ' VAL . 9.1 m-20 50.92 -55.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.992 1.108 . . . . 8.6 113.992 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' GLY . 36.9 mt-10 60.0 62.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.122 -0.695 . . . . 8.38 109.122 -172.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 78' ' ' ASN . 3.6 m -82.19 145.66 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 5.39 110.443 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 127.52 26.95 Favored Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 109.044 -0.724 . . . . 4.27 109.044 175.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.36 126.44 14.95 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.011 1.807 . . . . 2.92 111.994 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 20.8 ptmt -92.92 125.57 54.67 Favored Pre-proline 0 C--N 1.316 -0.88 0 CA-C-N 115.805 -0.634 . . . . 4.42 111.226 -177.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 9.7 Cg_exo -76.77 139.43 19.85 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.497 2.798 . . . . 0.94 111.293 174.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -90.43 114.12 26.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.259 -0.645 . . . . 2.01 109.259 174.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 13.5 ptt180 -119.32 158.32 26.34 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.439 0.638 . . . . 2.24 111.904 -173.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.537 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 82.0 m-70 -116.08 145.92 42.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.762 -1.108 . . . . 0.6 108.557 -177.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HB2' ' HE2' ' A' ' 88' ' ' MET . 14.2 ttm -132.09 129.33 39.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 118.581 0.628 . . . . 0.73 112.332 -175.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.883 ' CE2' HD23 ' A' ' 62' ' ' LEU . 1.5 m-85 -126.43 132.99 51.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.435 -0.802 . . . . 0.94 111.78 -173.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.471 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 8.7 t -100.82 128.25 46.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.401 -0.363 . . . . 1.3 110.33 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.834 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.7 m-85 -112.34 176.95 4.8 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.247 -0.649 . . . . 0.32 109.247 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.91 31.03 2.75 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.313 0.578 . . . . 1.17 110.401 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -149.64 130.27 14.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.587 -0.733 . . . . 1.62 109.841 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.658 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 13.4 mmt180 -64.46 -43.91 92.76 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.101 -0.954 . . . . 3.68 111.572 -173.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.1 m -62.36 -48.22 80.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.5 110.792 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 91' ' ' PHE . 42.4 t -48.85 -59.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.764 -0.653 . . . . 0.27 111.945 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.6 ptm -60.08 -48.39 81.94 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.288 -0.565 . . . . 0.84 111.105 -174.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.658 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -58.09 -37.97 75.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.825 -0.625 . . . . 0.67 111.815 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.456 ' CG ' ' HA ' ' A' ' 2' ' ' SER . 8.7 t-20 -73.34 -54.05 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.912 -0.403 . . . . 1.55 109.912 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 104' ' ' LEU . 44.0 mm -50.89 -46.51 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.748 -0.66 . . . . 0.22 109.776 171.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 60' ' ' LEU . 25.1 mtpt -42.78 -64.0 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.443 0.64 . . . . 0.92 111.267 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.2 ttm -59.8 -53.8 53.76 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.626 -1.17 . . . . 1.41 112.174 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 107' ' ' ILE . 71.8 m -48.06 -46.21 33.18 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.451 0.47 . . . . 0.27 112.108 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.788 HD11 HD11 ' A' ' 18' ' ' ILE . 3.8 mp -74.03 -50.99 17.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.499 0.666 . . . . 1.03 109.33 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -56.13 -43.49 78.26 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.456 -1.247 . . . . 1.72 111.958 -178.447 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -62.86 -41.87 99.54 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.689 -0.232 . . . . 2.21 111.216 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.6 mt -66.39 -37.51 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.39 110.217 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 104' ' ' LEU . 76.0 mt -59.05 -53.44 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.203 0.525 . . . . 0.4 109.947 172.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 47.1 t -59.45 -35.62 74.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.754 . . . . 1.32 110.459 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -55.94 -36.7 68.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 123.256 0.622 . . . . 2.87 111.989 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 107' ' ' ILE . 28.0 m-85 -89.47 -16.71 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 2.75 110.539 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 79.1 mttt -78.06 -40.7 37.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.848 -0.615 . . . . 1.63 110.306 175.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -79.68 -23.57 42.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.908 0.861 . . . . 1.6 109.102 171.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.96 35.76 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 113.406 -1.725 . . . . 1.33 110.758 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 114.696 -1.138 . . . . 2.23 110.985 -177.687 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.555 0.217 . . . . 3.79 111.246 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -55.37 -50.49 69.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.944 0.35 . . . . 2.78 111.944 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.493 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 28.1 pt20 -60.36 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 3.58 111.146 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.84 -32.84 40.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.431 0.634 . . . . 2.67 110.037 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.21 -40.23 82.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.444 -0.798 . . . . 2.16 109.835 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.641 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 43.7 m-85 -62.11 -16.84 55.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.5 -0.773 . . . . 1.84 111.967 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 83.4 mt -81.61 -53.29 6.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.432 . . . . 2.39 110.531 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -70.47 -46.0 64.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.734 -0.666 . . . . 2.91 112.394 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' TRP . . . . . 0.641 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 3.2 p-90 -60.81 -34.67 74.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.813 0.34 . . . . 1.06 110.448 -175.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -71.35 -46.51 60.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.302 0.572 . . . . 1.02 110.179 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.25 -20.49 64.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 3.37 110.49 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.6 t -71.39 -39.63 71.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.49 . . . . 1.9 109.815 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 7.5 mm-40 -66.59 -34.14 77.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 2.32 110.296 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -76.93 -25.01 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 3.14 110.138 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -44.64 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 2.58 111.586 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -59.12 -25.27 63.69 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.527 -0.306 . . . . 3.65 111.442 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.44 -40.91 98.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.022 0.439 . . . . 3.22 110.861 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptm -101.85 31.03 4.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 4.43 110.593 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.126 -0.819 . . . . 6.18 111.231 178.079 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m80 . . . . . 0 C--O 1.222 -0.362 0 CA-C-O 120.271 0.082 . . . . 0.61 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -150.6 173.84 13.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.18 -0.608 . . . . 0.28 112.48 -172.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.41 148.67 5.65 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 114.748 -1.115 . . . . 0.15 110.667 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.87 114.36 5.65 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.277 0.561 . . . . 0.19 111.873 -173.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.86 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.63 172.17 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.011 -0.995 . . . . 0.16 109.605 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -129.5 134.73 63.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 109.954 -0.387 . . . . 0.36 109.954 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.585 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 35.2 t80 -150.2 125.84 10.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.153 -0.476 . . . . 0.39 109.969 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 63.05 46.15 4.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.327 0.584 . . . . 1.33 111.405 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 69.11 -0.15 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.834 -1.075 . . . . 2.23 113.31 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -117.39 148.9 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.706 -0.479 . . . . 0.26 109.706 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.6 m -94.43 157.06 16.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.753 -0.658 . . . . 1.29 111.27 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.2 -147.49 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.997 -0.547 . . . . 0.17 112.159 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.68 146.01 32.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.467 -0.568 . . . . 0.18 109.467 175.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -100.13 133.09 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 107.297 -1.372 . . . . 0.17 107.297 170.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.06 108.74 5.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 0.15 112.085 -169.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 104' ' ' LEU . 3.2 mp -87.89 126.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.286 0.565 . . . . 0.23 109.945 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.08 121.13 42.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.417 -0.811 . . . . 1.36 110.657 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -120.89 70.73 0.91 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 118.981 -1.088 . . . . 1.47 108.622 167.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -112.82 -17.06 12.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.75 1.262 . . . . 3.67 108.612 161.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 29.0 m -107.31 -169.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 112.687 -2.051 . . . . 0.9 111.245 -162.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.0 m -72.97 169.06 19.15 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 105.655 -1.979 . . . . 1.23 105.655 174.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 23' ' ' SER . 50.5 Cg_exo -34.08 125.58 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.687 2.258 . . . . 0.56 113.541 -150.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.79 130.44 0.77 Allowed 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 113.826 -1.534 . . . . 0.27 112.683 -164.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.5 mt-10 -116.97 148.1 41.71 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 120.219 -0.592 . . . . 0.69 110.012 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.98 128.92 49.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.714 . . . . 0.59 109.078 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 6.5 m -122.93 108.58 13.11 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.133 -0.485 . . . . 0.22 111.434 -171.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.16 120.71 30.78 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.63 -0.828 . . . . 0.22 108.885 171.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.858 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -124.7 132.51 53.39 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.671 -0.695 . . . . 1.93 109.994 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 85.8 p -63.26 162.34 12.25 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.8 -0.636 . . . . 0.27 110.633 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -56.16 -35.01 66.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.212 0.53 . . . . 0.97 111.409 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.53 -28.49 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 2.57 110.96 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.91 -7.86 59.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 1.07 112.663 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.55 -50.47 65.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.127 0.489 . . . . 2.64 111.162 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 3.6 mttp -85.45 120.74 27.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.743 -0.662 . . . . 1.2 110.858 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.6 t -132.71 126.56 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.914 -0.773 . . . . 0.83 108.914 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' THR . 13.0 m-70 -129.22 115.98 18.47 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.327 -0.62 . . . . 0.33 109.327 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.9 OUTLIER -105.73 133.05 51.08 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.033 0.444 . . . . 0.32 111.38 -173.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 51.1 t -121.72 102.0 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.23 110.664 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.31 119.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.517 0.675 . . . . 0.63 109.828 175.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.92 -16.77 64.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.941 -1.027 . . . . 1.24 113.166 -168.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 26.8 t -65.27 -21.47 66.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 1.08 110.728 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.2 p -93.92 2.27 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.36 110.479 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.2 mm -99.13 139.76 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-N 115.874 -0.603 . . . . 0.36 111.807 -176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 15.8 t70 -98.6 -42.28 7.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 0.7 110.496 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.2 tmtt? -143.78 174.18 11.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.306 0.574 . . . . 1.56 110.554 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -147.26 154.77 41.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.146 166.469 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.468 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.5 mt-30 -142.21 162.92 34.24 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.04 -0.527 . . . . 2.28 110.545 -168.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.516 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.52 164.4 32.68 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.468 0.48 . . . . 0.43 110.087 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.55 111.625 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG3' HG21 ' A' ' 51' ' ' THR . 16.6 ptpt . . . . . 0 N--CA 1.451 -0.399 0 CA-C-O 121.203 0.525 . . . . 2.29 111.143 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.6 mpt? -113.37 119.88 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.369 -173.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -146.08 140.1 26.5 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.927 -0.309 . . . . 0.63 111.161 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.1 mm? -120.67 153.5 36.81 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.041 -0.726 . . . . 0.48 109.041 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.3 mtt180 -123.14 153.15 40.38 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.227 -0.442 . . . . 2.37 111.373 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.814 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -117.01 104.43 11.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.488 -0.778 . . . . 0.7 109.071 169.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.579 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.5 mm -88.43 99.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.735 -0.469 . . . . 0.41 109.735 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.72 152.37 47.48 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.334 -0.936 . . . . 0.37 111.703 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 83.2 mttt . . . . . 0 N--CA 1.444 -0.741 0 CA-C-O 121.988 0.899 . . . . 1.16 111.631 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.006 -0.739 . . . . 2.01 109.006 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 22.8 ptt180 -125.11 160.91 27.98 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.434 0.635 . . . . 2.24 112.231 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.1 m-70 -114.91 151.23 34.38 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.916 -1.038 . . . . 0.6 108.897 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.3 ttm -133.26 130.93 39.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.251 -0.579 . . . . 0.73 111.557 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.0 m-85 -123.03 132.18 54.02 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.602 -0.726 . . . . 0.94 111.244 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.58 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.7 m -99.53 122.11 42.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.01 -0.541 . . . . 1.3 111.157 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.86 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 91.3 m-85 -112.4 178.87 4.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.382 -0.599 . . . . 0.32 109.382 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.708 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 25.2 p-10 -142.66 36.65 1.46 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 1.17 110.215 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.487 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.4 t-20 -152.83 128.12 9.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.317 -0.856 . . . . 1.62 109.422 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -71.96 -35.5 69.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 3.68 111.57 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.487 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 59.9 m -59.67 -51.04 71.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.864 0.364 . . . . 0.5 110.39 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 91' ' ' PHE . 46.5 t -52.7 -54.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.621 -0.718 . . . . 0.27 110.617 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 6.5 mtp -45.79 -56.8 4.88 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 112.424 0.527 . . . . 0.84 112.424 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.635 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 17.0 t70 -64.12 -39.17 93.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.369 -0.378 . . . . 0.67 111.219 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.68 -50.08 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.55 110.942 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.8 ' O ' HD13 ' A' ' 104' ' ' LEU . 51.4 mm -61.69 -41.23 89.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.569 -0.53 . . . . 0.22 109.569 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.635 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 30.7 mtmt -50.54 -60.06 3.4 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.508 0.67 . . . . 0.92 110.168 173.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.5 mtm -59.6 -50.15 74.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.43 -1.259 . . . . 1.41 112.422 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 88.8 m -54.16 -48.76 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.27 111.384 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.8 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.1 mp -70.92 -51.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.085 -0.709 . . . . 1.03 109.085 -176.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -50.46 -50.83 51.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.636 -1.165 . . . . 1.72 111.88 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.1 mm-40 -66.43 -49.89 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.328 0.492 . . . . 2.21 112.328 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 25' ' ' ALA . 46.4 mt -62.44 -43.69 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.594 -0.442 . . . . 0.39 110.307 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.6 mt -53.42 -49.27 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.809 -0.632 . . . . 0.4 110.185 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.6 m -69.76 -21.81 63.41 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.669 -0.696 . . . . 1.32 112.032 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 93.8 mtt180 -68.18 -24.4 64.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.021 0.438 . . . . 2.87 110.169 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 2.75 109.907 177.1 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 103' ' ' THR . 47.8 m80 . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 114.201 1.185 . . . . 0.61 114.201 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 7.9 p -140.07 157.48 45.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.83 1.048 . . . . 0.28 113.83 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.404 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . 174.04 154.93 11.26 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 113.588 -1.642 . . . . 0.15 110.112 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.27 116.77 8.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.322 0.582 . . . . 0.19 112.087 -172.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.49 173.22 7.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.16 110.157 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.7 mp -131.99 135.68 58.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.052 -0.522 . . . . 0.36 109.899 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.634 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 44.8 t80 -149.21 131.89 15.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.815 -0.809 . . . . 0.39 108.815 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.6 mt-10 64.24 32.3 12.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.557 0.694 . . . . 1.33 110.398 -176.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 65.09 3.22 2.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.564 -1.198 . . . . 2.23 112.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.415 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -103.64 148.66 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 15.4 t -98.51 154.0 18.21 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.32 0.581 . . . . 1.29 111.96 -174.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.521 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.12 -148.14 6.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.906 -1.043 . . . . 0.17 111.791 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.58 145.09 31.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.615 -0.513 . . . . 0.18 109.615 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.36 132.92 45.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.888 -1.523 . . . . 0.17 106.888 170.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.86 5.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.187 0.44 . . . . 0.15 112.187 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.706 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.9 mp -92.61 131.04 40.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.884 0.373 . . . . 0.23 110.131 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -119.24 129.26 54.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.852 -0.613 . . . . 1.36 110.757 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 13.8 mt-10 -120.27 72.71 0.95 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.753 -1.203 . . . . 1.47 107.753 167.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -112.91 -23.3 10.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.982 1.372 . . . . 3.67 108.553 164.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.16 -169.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 112.08 -2.327 . . . . 0.9 111.568 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 49.9 p -73.04 168.56 23.62 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 105.419 -2.067 . . . . 1.23 105.419 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.652 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 77.1 Cg_exo -33.29 125.64 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.594 2.196 . . . . 0.56 113.912 -146.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.28 130.01 0.36 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 125.527 1.767 . . . . 0.27 112.307 -169.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.43 145.05 42.34 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.859 -0.737 . . . . 0.69 110.085 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.56 129.72 50.83 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.718 -1.128 . . . . 0.59 108.876 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -120.62 107.87 13.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 120.845 -0.342 . . . . 0.22 110.768 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 87.4 t90 -89.35 114.96 26.44 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 119.115 -1.034 . . . . 0.22 108.27 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.946 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.1 ptt180 -124.46 122.74 38.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.392 -0.822 . . . . 1.93 110.284 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.521 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.6 p -58.23 154.0 14.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.85 -1.068 . . . . 0.27 111.342 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -52.11 -39.35 59.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.97 111.378 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -67.15 -26.48 66.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 2.57 111.585 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.08 3.59 63.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 1.07 112.042 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.12 -62.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 2.64 110.721 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.0 mttt -80.27 128.77 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.834 -0.621 . . . . 1.2 111.468 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.8 t -139.43 117.49 11.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.897 -0.779 . . . . 0.83 108.897 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.25 116.07 24.19 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.009 -0.737 . . . . 0.33 109.009 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.47 119.6 39.97 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.643 0.735 . . . . 0.32 111.845 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -106.83 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.787 -1.097 . . . . 0.23 110.362 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -68.62 116.84 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.359 -0.978 . . . . 0.63 108.359 171.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.037 -0.983 . . . . 1.24 112.563 -168.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.652 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 44.9 t -52.6 -23.42 6.42 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.636 0.255 . . . . 1.08 111.672 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -88.25 -2.53 58.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.216 0.531 . . . . 0.36 110.86 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 10.2 mm -100.77 145.16 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.032 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.7 110.114 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 63' ' ' ILE . 4.2 tmtp? -135.38 174.95 10.04 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.288 0.566 . . . . 1.56 110.22 -175.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.598 HD22 HD12 ' A' ' 108' ' ' ILE . 2.4 pt? -142.81 154.06 43.83 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 1.37 108.479 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.1 mt-30 -135.38 145.69 47.6 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.93 -0.308 . . . . 2.28 110.27 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 101' ' ' LYS . . . -135.19 145.83 48.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.43 110.735 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.55 112.519 -175.699 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 120.969 0.414 . . . . 2.29 111.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.581 ' SD ' ' HD2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -98.57 113.01 24.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.852 -0.613 . . . . 1.13 110.04 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 tpp -139.44 145.55 38.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 0.63 110.872 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -126.19 143.62 51.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.48 109.844 168.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 69.7 mtt180 -112.27 148.44 34.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.474 -0.785 . . . . 2.37 111.327 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -111.6 103.34 11.65 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.743 -1.117 . . . . 0.7 108.873 172.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.624 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.0 mm -87.73 98.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.589 -0.522 . . . . 0.41 109.589 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.64 149.7 49.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.943 -0.646 . . . . 0.37 112.239 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.2 mttt . . . . . 0 N--CA 1.445 -0.722 0 CA-C-O 122.445 1.117 . . . . 1.16 112.384 -175.388 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 . . . . . 0 CA--C 1.518 -0.261 0 N-CA-C 109.612 -0.514 . . . . 2.01 109.612 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.9 ptp180 -113.33 151.91 30.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.744 0.783 . . . . 2.24 112.789 -169.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 60.3 m-70 -107.04 155.32 19.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.86 -1.163 . . . . 0.6 107.86 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.3 ttm -134.09 129.62 36.24 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.631 -0.428 . . . . 0.73 110.609 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 62' ' ' LEU . 7.1 m-85 -124.51 133.36 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.065 0.459 . . . . 0.94 109.774 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.479 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.8 m -92.3 147.79 22.64 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.395 -0.82 . . . . 1.3 109.948 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.815 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 97.3 m-85 -120.06 177.3 5.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.29 0.567 . . . . 0.32 110.183 167.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.48 26.81 5.91 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.086 -0.961 . . . . 1.17 110.433 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -157.69 135.03 10.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.179 -0.464 . . . . 1.62 109.809 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.581 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 14.3 mmm180 -72.39 -35.23 68.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.056 -0.52 . . . . 3.68 111.808 -173.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.1 m -67.3 -48.74 66.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.994 0.426 . . . . 0.5 110.428 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 100' ' ' ILE . 26.0 t -46.81 -57.52 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.274 -0.876 . . . . 0.27 111.95 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.68 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 10.8 ptm -55.07 -51.33 66.69 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.381 -0.528 . . . . 0.84 111.18 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.664 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -56.23 -41.1 75.13 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.606 0.566 . . . . 0.67 111.81 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -50.1 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.009 0.433 . . . . 1.55 110.529 175.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 104' ' ' LEU . 48.5 mm -59.73 -42.87 90.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.732 -0.667 . . . . 0.22 110.173 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HG2' HD11 ' A' ' 60' ' ' LEU . 1.3 mtpt -49.01 -63.11 1.19 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.43 0.633 . . . . 0.92 110.138 175.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.96 -44.29 91.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.552 -1.204 . . . . 1.41 112.076 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' ' 3' ' ' HIS . 62.3 m -54.48 -57.86 9.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.278 0.561 . . . . 0.27 110.87 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -66.33 -50.62 62.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.224 -0.898 . . . . 1.03 109.622 -174.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -43.01 -50.73 5.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.845 -1.071 . . . . 1.72 112.101 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 55.8 mt-30 -71.25 -51.74 22.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.379 -0.343 . . . . 2.21 111.77 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 25' ' ' ALA . 71.2 mt -52.21 -47.91 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.395 0.617 . . . . 0.39 110.072 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.123 HG12 ' OH ' ' A' ' 111' ' ' TYR . 68.7 mt -55.74 -56.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 114.876 -1.056 . . . . 0.4 110.521 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -60.19 -22.61 63.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.77 0.319 . . . . 1.32 111.28 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 85.8 mtt180 -68.55 -43.12 77.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.592 -0.276 . . . . 2.87 110.663 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 1.123 ' OH ' HG12 ' A' ' 108' ' ' ILE . 1.5 p90 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.299 0.571 . . . . 2.75 110.687 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.446 ' HA ' HG21 ' A' ' 103' ' ' THR . 57.8 m80 . . . . . 0 N--CA 1.471 0.617 0 N-CA-C 112.642 0.608 . . . . 0.61 112.642 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 17.5 p -154.45 165.15 37.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.48 0.657 . . . . 0.28 112.176 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.33 149.91 6.64 Favored Glycine 0 N--CA 1.439 -1.155 0 CA-C-N 114.466 -1.243 . . . . 0.15 110.597 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 114.45 5.92 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.306 0.574 . . . . 0.19 111.555 -174.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.28 177.24 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.16 110.049 -176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.5 mp -131.18 136.7 57.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 110.214 -0.291 . . . . 0.36 110.214 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 65.3 t80 -150.23 136.27 18.6 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.729 -0.841 . . . . 0.39 108.729 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.8 mt-10 63.89 31.94 13.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.504 0.669 . . . . 1.33 110.87 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 64.35 5.07 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.616 -1.175 . . . . 2.23 113.12 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -107.0 149.03 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.873 -0.788 . . . . 0.26 108.873 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.622 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 m -92.94 151.0 20.19 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.077 -0.511 . . . . 1.29 111.837 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -167.71 -151.56 7.07 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.714 -0.675 . . . . 0.17 111.804 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.21 146.18 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.15 -0.685 . . . . 0.18 109.15 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.47 130.45 49.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.252 -1.388 . . . . 0.17 107.252 170.237 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.65 111.0 7.03 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.07 0.396 . . . . 0.15 112.07 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 104' ' ' LEU . 3.5 mp -94.6 127.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.004 0.431 . . . . 0.23 110.125 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -116.91 130.86 56.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.653 -0.703 . . . . 1.36 110.359 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -124.56 72.72 1.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.174 -1.047 . . . . 1.47 108.174 168.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -112.93 -21.63 11.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.21 1.481 . . . . 3.67 108.348 165.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 23' ' ' SER . 17.0 m -107.46 -168.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 111.832 -2.44 . . . . 0.9 111.859 -160.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.53 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 44.1 p -72.64 169.27 17.82 Favored Pre-proline 0 C--N 1.314 -0.958 0 N-CA-C 105.686 -1.968 . . . . 1.23 105.686 173.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 50.1 Cg_exo -34.61 126.67 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.607 2.204 . . . . 0.56 113.649 -148.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.18 132.76 1.33 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 125.096 1.498 . . . . 0.27 112.33 -166.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -118.08 146.57 44.01 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.31 0.576 . . . . 0.69 110.286 -174.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -103.53 128.33 50.77 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.059 -0.973 . . . . 0.59 108.841 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.471 ' CG2' HG13 ' A' ' 37' ' ' VAL . 5.0 m -119.25 107.62 13.64 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 120.666 -0.414 . . . . 0.22 110.917 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.531 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.2 t90 -88.46 119.13 28.61 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.902 -1.148 . . . . 0.22 107.902 168.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.714 ' CB ' HG22 ' A' ' 37' ' ' VAL . 17.9 ptt180 -129.34 128.17 42.56 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 115.873 -0.603 . . . . 1.93 110.096 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.494 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 79.9 p -62.79 149.4 44.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.446 -0.797 . . . . 0.27 110.549 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' HA2' ' A' ' 14' ' ' GLY . 16.5 p -59.48 -29.1 67.59 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.046 -0.525 . . . . 0.97 111.648 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 1.8 p-10 -71.33 -19.25 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 2.57 111.349 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.81 6.69 69.55 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.957 -0.64 . . . . 1.07 113.117 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.484 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 5.9 t70 -88.8 -50.95 5.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.929 0.395 . . . . 2.64 111.101 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.571 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 9.8 mttp -88.61 126.8 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.546 . . . . 1.2 111.571 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.5 t -138.41 125.23 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.738 -0.838 . . . . 0.83 108.738 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 19.2 m-70 -128.4 117.22 21.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.784 -0.451 . . . . 0.33 109.784 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -105.71 116.33 31.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.728 0.775 . . . . 0.32 112.046 -173.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -102.01 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.685 -1.143 . . . . 0.23 110.3 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.43 118.11 14.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 175.092 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.2 -17.41 63.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.02 -0.991 . . . . 1.24 113.368 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 20.0 t -71.4 -9.23 57.83 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.045 -0.262 . . . . 1.08 111.193 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 3.14 42.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.059 0.457 . . . . 0.36 110.467 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 36.7 mm -100.05 145.24 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.916 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t70 -103.32 -48.82 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.419 -0.81 . . . . 0.7 111.123 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -136.67 172.81 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 1.56 109.979 -174.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 108' ' ' ILE . 1.7 pt? -145.17 150.38 36.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.051 -0.522 . . . . 1.37 109.6 166.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 56.9 mt-30 -126.24 148.14 49.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.991 -0.374 . . . . 2.28 109.991 -177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.43 134.86 24.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.43 110.198 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.55 111.754 -177.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt . . . . . 0 N--CA 1.444 -0.734 0 CA-C-O 121.352 0.596 . . . . 2.29 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.612 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -102.7 113.08 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.244 -0.889 . . . . 1.13 110.431 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.5 tpp -141.12 139.01 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.63 111.498 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD11 ' HG2' ' A' ' 101' ' ' LYS . 2.2 mm? -121.08 154.9 35.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.845 -0.616 . . . . 0.48 109.609 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 80.6 mtt180 -126.09 150.58 48.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.168 -0.469 . . . . 2.37 111.068 171.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.769 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.1 mm? -111.17 114.46 27.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.354 -0.98 . . . . 0.7 108.354 168.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.607 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -99.11 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.586 -0.524 . . . . 0.41 109.586 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.75 156.32 53.4 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.127 -1.035 . . . . 0.37 112.812 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 23.6 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 1.16 111.187 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 109.164 -0.68 . . . . 2.01 109.164 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HG2' HD13 ' A' ' 63' ' ' ILE . 97.3 mtt180 -103.27 162.99 12.53 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.859 0.838 . . . . 2.24 112.551 -174.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 83.0 m-70 -136.05 127.61 28.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.927 -1.488 . . . . 0.6 108.103 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.0 ttm -118.54 136.98 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.044 -0.662 . . . . 0.73 111.628 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' HD23 ' A' ' 62' ' ' LEU . 3.2 m-85 -128.7 129.96 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.316 -0.856 . . . . 0.94 111.606 -175.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 14.4 t -100.44 129.21 46.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 1.3 110.012 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.5 m-85 -109.69 179.77 4.03 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.463 -0.569 . . . . 0.32 109.463 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -120.2 20.88 11.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.87 -0.605 . . . . 1.17 111.252 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.641 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.3 t-20 -166.92 138.34 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.597 0.237 . . . . 1.62 110.54 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.0 OUTLIER -80.03 -24.1 41.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.981 0.363 . . . . 3.68 111.981 -176.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.641 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 19.2 m -64.56 -44.57 90.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.357 -0.609 . . . . 0.5 109.357 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 91' ' ' PHE . 54.3 t -51.78 -53.18 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 115.716 -0.674 . . . . 0.27 109.985 169.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.612 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.1 mtp -43.5 -64.99 0.55 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.603 0.565 . . . . 0.84 112.297 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' LYS . 38.9 t70 -55.29 -35.33 64.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.734 0.302 . . . . 0.67 111.615 -174.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -69.36 -57.4 5.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 1.55 110.902 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.784 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.3 mm -56.44 -46.01 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.012 -0.366 . . . . 0.22 110.012 176.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HG2' HD11 ' A' ' 60' ' ' LEU . 39.0 mtpt -47.08 -63.75 0.96 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.432 0.634 . . . . 0.92 110.685 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.5 mtm -58.43 -49.82 75.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.6 -1.182 . . . . 1.41 112.01 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 3' ' ' HIS . 93.8 m -49.84 -52.11 34.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.144 0.497 . . . . 0.27 111.106 -178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -70.88 -53.38 15.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.507 -0.77 . . . . 1.03 109.683 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.512 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -49.4 -48.87 46.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.43 -0.805 . . . . 1.72 111.978 -176.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 56.3 mt-30 -64.15 -45.99 86.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.782 -0.19 . . . . 2.21 111.313 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.3 mt -65.21 -42.98 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.76 0.314 . . . . 0.39 110.374 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 48' ' ' LEU . 96.4 mt -57.58 -44.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.4 109.889 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.2 t -59.84 -34.33 72.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.756 -0.656 . . . . 1.32 110.725 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.7 mtt180 -60.8 -38.36 85.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 2.87 110.864 177.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.499 ' CE2' HG22 ' A' ' 107' ' ' ILE . 23.1 m-85 . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.257 0.551 . . . . 2.75 110.123 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.492 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.3 m80 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 113.321 0.86 . . . . 0.61 113.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 35.5 p -141.99 162.93 34.24 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 113.232 0.827 . . . . 0.28 113.232 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.64 152.84 7.34 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.057 -1.429 . . . . 0.15 110.972 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.98 116.97 8.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.324 0.583 . . . . 0.19 112.512 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.781 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.32 176.13 7.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.901 -1.045 . . . . 0.16 110.037 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -131.25 137.25 56.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.555 0.217 . . . . 0.36 110.701 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 42.5 t80 -150.27 132.93 15.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.099 -0.704 . . . . 0.39 109.099 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 55.0 mt-10 63.11 40.68 8.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.126 0.489 . . . . 1.33 111.766 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.7 mptp? 62.68 5.29 1.66 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.94 -1.027 . . . . 2.23 113.416 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -113.68 148.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.375 -0.602 . . . . 0.26 109.375 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 12.7 t -97.2 156.01 16.6 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.791 -0.64 . . . . 1.29 111.519 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.4 -149.27 7.49 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.428 -0.805 . . . . 0.17 112.698 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -122.04 143.08 35.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.622 -0.51 . . . . 0.18 109.622 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.624 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.11 134.11 40.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 107.235 -1.395 . . . . 0.17 107.235 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.92 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.888 0.375 . . . . 0.15 111.752 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -87.27 122.29 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.23 109.829 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -110.72 128.86 55.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 1.36 110.95 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -122.97 72.32 1.09 Allowed 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 107.736 -1.209 . . . . 1.47 107.736 167.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -111.34 -23.4 10.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.076 1.417 . . . . 3.67 108.335 167.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 m -107.66 -169.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 112.075 -2.329 . . . . 0.9 111.745 -163.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.78 170.66 13.43 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 104.823 -2.288 . . . . 1.23 104.823 172.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -31.88 126.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.919 2.413 . . . . 0.56 114.09 -147.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.4 139.22 0.79 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 113.381 -1.736 . . . . 0.27 112.349 -166.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.2 mt-10 -114.09 151.47 32.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.111 -0.495 . . . . 0.69 110.036 -176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -104.44 128.41 52.33 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.88 -1.156 . . . . 0.59 107.88 170.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -124.04 107.72 11.6 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.126 -0.488 . . . . 0.22 110.661 -172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.9 t90 -92.15 124.24 36.09 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.948 -0.76 . . . . 0.22 108.948 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.778 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.0 ptt180 -128.1 123.64 35.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.545 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.564 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 62.1 p -58.66 143.19 47.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.451 0.643 . . . . 0.27 111.267 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.489 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 5.8 t -78.64 -7.49 57.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.642 1.21 . . . . 0.97 107.783 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 21.28 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.219 -1.809 . . . . 2.57 112.9 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 23.91 5.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.847 -1.168 . . . . 1.07 113.776 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 t70 71.9 66.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.036 0.922 . . . . 2.64 112.76 165.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.778 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 33.3 tttp -90.43 118.06 29.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.586 -1.264 . . . . 1.2 107.586 165.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' HB3' ' A' ' 30' ' ' ARG . 16.4 t -112.85 130.3 66.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 121.315 0.579 . . . . 0.83 111.735 -167.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.681 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.7 m-70 -131.95 121.35 23.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.331 -0.988 . . . . 0.33 108.331 175.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 26' ' ' GLU . 1.5 m -111.23 134.8 52.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.286 0.565 . . . . 0.32 111.718 -170.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 38.8 t -122.34 104.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.23 111.079 -175.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.53 115.72 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.253 -0.647 . . . . 0.63 109.253 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 104' ' ' LEU . 30.3 mt -65.25 -21.27 66.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.89 1.07 . . . . 1.24 113.89 -169.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 p -67.69 -18.28 64.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.08 111.012 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -97.56 8.97 43.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.36 110.332 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.6 mm -104.45 138.47 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.36 110.139 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -98.94 -45.64 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.002 0.43 . . . . 0.7 110.834 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.661 ' HB3' HG13 ' A' ' 63' ' ' ILE . 6.1 mmtt -133.78 175.34 9.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.403 0.621 . . . . 1.56 110.547 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 134.39 21.79 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.077 -0.965 . . . . 1.37 109.36 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 51.7 mt-30 -123.78 139.82 53.6 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.85 -0.614 . . . . 2.28 110.453 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 101' ' ' LYS . . . -138.98 154.41 48.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.449 -0.341 . . . . 0.43 110.463 -177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.55 111.743 -179.481 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt . . . . . 0 N--CA 1.448 -0.556 0 CA-C-O 121.27 0.557 . . . . 2.29 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 23.2 mtm -118.67 112.98 20.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.698 . . . . 1.13 110.951 -171.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -140.91 142.28 34.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.593 -0.731 . . . . 0.63 111.214 -174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -123.93 143.57 50.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.695 -0.684 . . . . 0.48 109.427 168.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 60.4 mtt180 -119.98 146.05 46.21 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.639 -0.71 . . . . 2.37 110.965 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -109.65 107.51 17.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.452 -1.249 . . . . 0.7 108.083 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.8 mm -88.89 99.19 8.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 108.733 -0.84 . . . . 0.41 108.733 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.27 152.29 52.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.234 -0.984 . . . . 0.37 112.953 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttt . . . . . 0 CA--C 1.504 -0.797 0 CA-C-O 121.729 0.776 . . . . 1.16 112.022 -178.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 109.426 -0.583 . . . . 2.01 109.426 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 63' ' ' ILE . 49.8 mtt85 -97.36 150.36 21.07 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.846 0.831 . . . . 2.24 112.205 -175.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 55.7 m-70 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 113.985 -1.461 . . . . 0.6 108.15 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.8 ttm -116.39 130.08 56.58 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.211 -0.595 . . . . 0.73 111.349 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -125.22 138.75 54.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.94 110.143 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 5.2 t -110.65 134.23 52.62 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.42 -0.355 . . . . 1.3 110.963 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.781 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 53.1 m-85 -113.84 177.28 4.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.168 0.509 . . . . 0.32 109.802 173.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -134.72 21.65 3.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.52 -0.764 . . . . 1.17 110.278 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -140.46 125.01 17.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.753 -0.832 . . . . 1.62 108.753 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 94' ' ' ARG . 10.6 tpt180 -70.61 -39.32 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 3.68 111.469 -168.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.5 m -61.51 -46.5 89.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.335 -0.393 . . . . 0.5 110.234 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.2 t -47.73 -60.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.27 111.55 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.693 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptm -58.83 -48.71 80.37 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.359 -0.536 . . . . 0.84 111.538 -174.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.693 ' N ' ' HG3' ' A' ' 97' ' ' MET . 35.3 t70 -59.18 -36.65 75.71 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.837 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.28 -49.17 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 1.55 110.321 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 96' ' ' VAL . 46.2 mm -54.94 -44.29 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.255 0.55 . . . . 0.22 109.61 172.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.679 ' HG3' HD11 ' A' ' 60' ' ' LEU . 19.5 ttmt -47.34 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.527 -1.215 . . . . 0.92 110.34 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -58.49 -47.65 83.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.505 -1.225 . . . . 1.41 111.76 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 3' ' ' HIS . 99.4 m -49.75 -50.97 42.36 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.531 0.52 . . . . 0.27 110.948 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 27' ' ' LEU . 40.5 mt -69.55 -55.75 9.27 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.804 -0.634 . . . . 1.03 111.035 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -50.49 -46.98 57.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.635 -1.166 . . . . 1.72 111.86 -176.45 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 82.7 mm-40 -68.92 -42.54 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 2.21 111.777 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.636 HG21 ' HB3' ' A' ' 25' ' ' ALA . 73.1 mt -62.98 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.735 -0.386 . . . . 0.39 110.038 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.16 -47.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.4 110.148 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.1 t -63.07 -31.69 72.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.644 -0.707 . . . . 1.32 110.986 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -63.3 -37.35 86.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.929 0.395 . . . . 2.87 110.725 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.8 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 2.75 110.02 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.636 ' HA ' HG21 ' A' ' 103' ' ' THR . 71.0 m80 . . . . . 0 C--O 1.222 -0.355 0 N-CA-C 113.652 0.982 . . . . 0.61 113.652 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 10.7 p -148.92 160.14 43.54 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.051 0.76 . . . . 0.28 113.051 -174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.49 153.44 9.66 Favored Glycine 0 N--CA 1.441 -1.012 0 CA-C-N 114.0 -1.454 . . . . 0.15 110.27 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.38 115.0 6.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.289 0.566 . . . . 0.19 111.95 -173.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.776 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.97 175.5 6.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.16 110.181 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.2 138.71 52.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.306 . . . . 0.36 110.175 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.9 t80 -148.83 127.13 12.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.198 -0.667 . . . . 0.39 109.198 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.0 mt-10 67.49 40.7 2.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.219 0.533 . . . . 1.33 110.91 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.79 -7.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.727 -1.124 . . . . 2.23 113.407 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -98.91 146.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.26 109.599 175.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 25.3 t -97.24 156.82 16.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.399 -0.818 . . . . 1.29 111.691 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.47 -145.07 5.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 114.74 -1.118 . . . . 0.17 111.475 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.26 145.16 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.952 -0.388 . . . . 0.18 109.952 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.1 132.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.243 -1.392 . . . . 0.17 107.243 170.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.52 111.16 6.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.811 0.339 . . . . 0.15 111.709 -171.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -89.99 124.25 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.367 0.603 . . . . 0.23 110.581 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -106.89 125.98 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.86 -1.064 . . . . 1.36 110.626 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 31.9 mt-10 -124.22 73.52 1.24 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.818 -0.753 . . . . 1.47 108.992 168.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -112.73 -22.69 10.59 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 122.984 1.374 . . . . 3.67 108.436 162.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 -170.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 112.104 -2.316 . . . . 0.9 111.871 -160.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 27.4 p -74.22 170.62 14.01 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 105.773 -1.936 . . . . 1.23 105.773 173.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.572 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -33.73 126.49 0.16 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.715 2.277 . . . . 0.56 113.848 -145.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.67 133.16 2.07 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.864 -1.516 . . . . 0.27 112.105 -166.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.92 149.22 39.06 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-O 121.339 0.59 . . . . 0.69 110.361 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 18' ' ' ILE . 1.2 tt -103.1 129.38 49.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.12 -0.945 . . . . 0.59 108.886 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -122.0 107.41 12.2 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 116.199 -0.455 . . . . 0.22 111.019 -171.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 83.1 t90 -91.85 124.49 36.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.818 -0.753 . . . . 0.22 108.979 172.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.825 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -128.45 133.95 48.64 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.602 -0.726 . . . . 1.93 109.776 176.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 94.5 p -62.2 164.05 7.45 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.557 0.536 . . . . 0.27 110.966 -175.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -57.31 -32.66 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.982 0.42 . . . . 0.97 111.119 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.52 -30.52 70.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 2.57 110.584 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.69 2.1 58.66 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.783 -0.644 . . . . 1.07 112.53 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -86.87 -55.86 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.717 0.294 . . . . 2.64 111.766 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.756 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 18.4 tttt -72.38 118.63 15.52 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.621 -0.511 . . . . 1.2 109.621 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.825 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 t -132.16 132.55 60.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.771 -0.649 . . . . 0.83 109.439 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.648 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.9 m-70 -132.53 121.17 22.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.736 -0.838 . . . . 0.33 108.736 177.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 119.37 38.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.576 0.703 . . . . 0.32 112.14 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 t -106.59 102.16 13.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.693 -1.139 . . . . 0.23 110.714 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.92 118.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 0.63 109.413 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.64 -14.32 57.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.717 -1.129 . . . . 1.24 113.137 -169.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.572 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 23.1 t -66.13 -23.42 66.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.945 0.402 . . . . 1.08 110.95 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -93.01 -3.42 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.691 . . . . 0.36 110.042 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.4 mm -94.74 136.87 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.966 -1.015 . . . . 0.36 110.186 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -92.66 -50.06 5.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.926 -0.398 . . . . 0.7 109.926 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 63' ' ' ILE . 47.4 tptt -134.32 167.78 20.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.426 0.631 . . . . 1.56 110.593 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -143.26 152.61 41.9 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.439 -0.948 . . . . 1.37 108.439 166.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -155.67 148.8 24.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.739 -0.664 . . . . 2.28 110.277 -170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.593 ' HB1' ' CE ' ' A' ' 97' ' ' MET . . . -111.9 167.57 10.27 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.475 -0.33 . . . . 0.43 110.322 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.4 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.55 111.53 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt . . . . . 0 C--O 1.235 0.309 0 CA-C-O 121.31 0.576 . . . . 2.29 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.606 ' HB3' ' SD ' ' A' ' 97' ' ' MET . 1.3 mpt? -103.04 124.67 48.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.621 -0.718 . . . . 1.13 110.711 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -153.39 139.76 18.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.733 -0.667 . . . . 0.63 111.289 -176.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -112.75 142.44 45.38 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.466 -0.568 . . . . 0.48 109.466 168.429 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 65.4 mtm180 -105.34 144.55 31.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.74 -0.664 . . . . 2.37 111.492 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.3 mm? -113.12 103.66 11.58 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.715 -1.13 . . . . 0.7 109.138 170.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.98 100.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 110.133 -0.321 . . . . 0.41 110.133 -175.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.62 150.67 45.21 Favored Glycine 0 C--N 1.319 -0.388 0 C-N-CA 120.206 -0.997 . . . . 0.37 111.955 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mttt . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 121.98 0.895 . . . . 1.16 111.87 -177.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 N--CA 1.446 -0.667 0 CA-C-O 121.445 0.64 . . . . 2.01 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 4.0 ptt-85 -117.25 157.02 26.75 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.228 -0.896 . . . . 2.24 111.07 -172.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 70.8 m-70 -118.1 134.14 55.26 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.419 -0.956 . . . . 0.6 108.419 -176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.537 ' HG2' ' HG2' ' A' ' 61' ' ' ARG . 54.1 mtt -117.44 124.23 48.32 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.626 -0.429 . . . . 0.73 111.434 -176.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.16 132.59 55.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.94 109.592 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 7.6 t -99.75 132.82 44.85 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 120.932 0.396 . . . . 1.3 111.582 -174.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.776 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 73.9 m-85 -112.74 179.5 3.96 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.799 -0.815 . . . . 0.32 108.799 172.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.603 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 5.6 p30 -131.52 31.28 4.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.256 0.55 . . . . 1.17 110.464 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -157.06 124.98 5.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.243 -0.651 . . . . 1.62 109.243 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -68.42 -31.49 70.86 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.292 -0.413 . . . . 3.68 110.649 -176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.6 m -59.45 -53.11 61.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.066 -0.516 . . . . 0.5 110.083 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.07 -48.95 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.756 -0.656 . . . . 0.27 110.734 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.606 ' SD ' ' HB3' ' A' ' 58' ' ' MET . 31.3 mtp -50.28 -48.42 54.99 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.84 111.953 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 24.1 t70 -69.07 -37.3 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.67 110.905 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -53.76 50.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.369 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.8 mm -62.09 -40.29 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.22 109.989 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 31.0 mtmt -51.72 -63.69 1.05 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.042 0.448 . . . . 0.92 110.405 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.7 ttp -55.36 -47.94 75.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.934 -1.03 . . . . 1.41 112.212 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 3' ' ' HIS . 90.5 m -52.81 -55.95 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.27 111.111 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.8 mp -69.14 -48.63 61.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.713 -0.676 . . . . 1.03 109.215 -174.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.625 ' HA ' HD11 ' A' ' 48' ' ' LEU . 16.3 tm0? -48.75 -54.39 15.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.871 -1.058 . . . . 1.72 111.915 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.1 mm100 -65.74 -47.38 75.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.155 0.428 . . . . 2.21 112.155 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 25' ' ' ALA . 49.0 mt -62.7 -43.56 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.39 110.27 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.2 mt -57.66 -47.79 84.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.4 110.597 175.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 51.0 m -66.35 -25.66 66.92 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.928 -0.578 . . . . 1.32 111.571 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.4 mtt180 -60.8 -34.0 73.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.118 0.485 . . . . 2.87 110.037 172.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CE2' HG22 ' A' ' 107' ' ' ILE . 16.7 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 2.75 110.542 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.413 ' HA ' HG21 ' A' ' 103' ' ' THR . 46.3 m80 . . . . . 0 CA--C 1.515 -0.377 0 N-CA-C 111.625 0.232 . . . . 0.61 111.625 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.8 p -143.87 163.18 34.12 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.652 0.739 . . . . 0.28 112.81 -174.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.73 150.59 8.11 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.128 -1.396 . . . . 0.15 110.223 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.76 123.28 19.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.359 0.599 . . . . 0.19 111.592 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.619 ' HA ' ' O ' ' A' ' 90' ' ' SER . . . -133.68 174.05 10.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.918 -1.037 . . . . 0.16 110.164 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.671 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.47 138.85 52.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.464 0.306 . . . . 0.36 110.312 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 37.8 t80 -147.5 133.63 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.99 -0.744 . . . . 0.39 108.99 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 43.3 mt-10 61.83 37.94 15.08 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.289 0.566 . . . . 1.33 111.187 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.35 0.14 1.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.701 -1.136 . . . . 2.23 113.08 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -105.34 147.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.48 -0.563 . . . . 0.26 109.48 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.671 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t -96.5 155.25 16.85 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.612 -0.722 . . . . 1.29 111.763 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.55 -150.3 7.65 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.006 -0.997 . . . . 0.17 111.589 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.01 145.83 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.18 109.821 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.6 133.82 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.315 -1.365 . . . . 0.17 107.315 172.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.95 107.72 5.37 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.14 0.422 . . . . 0.15 112.14 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -85.51 125.1 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.305 -0.628 . . . . 0.23 109.305 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -117.57 122.11 42.76 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.587 -0.733 . . . . 1.36 111.225 -172.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -118.96 71.61 0.86 Allowed 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 108.037 -1.097 . . . . 1.47 108.037 169.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -112.64 -23.17 10.37 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.221 1.486 . . . . 3.67 108.482 165.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.49 -168.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 111.759 -2.473 . . . . 0.9 111.62 -161.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 11.1 m -72.52 170.49 12.89 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 105.596 -2.002 . . . . 1.23 105.596 173.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.0 Cg_exo -34.31 126.76 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.77 2.313 . . . . 0.56 113.596 -148.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.06 134.89 0.99 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 113.817 -1.538 . . . . 0.27 112.484 -166.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.77 151.24 41.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.084 0.469 . . . . 0.69 110.354 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.09 128.71 49.88 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.537 -0.912 . . . . 0.59 108.537 177.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -121.99 107.81 12.67 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 116.104 -0.498 . . . . 0.22 110.895 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 78.9 t90 -90.18 128.26 36.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.97 -0.752 . . . . 0.22 108.97 173.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.6 ptt85 -132.52 126.63 33.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.116 -0.493 . . . . 1.93 110.738 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -59.03 151.37 22.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 0.27 110.339 -177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.4 HG23 ' HA2' ' A' ' 14' ' ' GLY . 38.5 p -56.9 -23.71 46.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.464 -0.789 . . . . 0.97 112.41 -170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.53 -28.59 59.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.082 0.467 . . . . 2.57 110.836 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.28 16.2 33.11 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.998 -0.546 . . . . 1.07 112.186 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.69 -55.37 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 2.64 111.686 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.669 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.6 tttp -90.16 120.35 31.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.445 0.64 . . . . 1.2 110.95 -171.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.2 t -131.12 132.61 63.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.698 -1.137 . . . . 0.83 109.759 -175.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 8.6 m-70 -132.7 123.4 26.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.765 -0.828 . . . . 0.33 108.765 176.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.74 128.46 55.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.373 0.606 . . . . 0.32 111.627 -172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -116.37 101.25 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.23 110.588 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.5 OUTLIER -71.41 120.9 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.63 109.174 175.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.059 -0.973 . . . . 1.24 113.477 -165.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -67.3 -10.52 51.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.693 0.282 . . . . 1.08 111.649 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -96.03 -7.01 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.708 0.289 . . . . 0.36 110.628 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.5 mm -100.26 142.25 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-O 121.213 0.53 . . . . 0.36 111.479 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 13.4 t70 -106.03 -48.77 3.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.274 -0.875 . . . . 0.7 111.08 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB3' HG13 ' A' ' 63' ' ' ILE . 43.1 tptt -134.32 173.77 11.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.529 0.681 . . . . 1.56 110.703 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.604 HD13 ' HG2' ' A' ' 105' ' ' GLN . 4.4 mp -129.29 157.69 41.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.084 -0.962 . . . . 1.37 109.751 171.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.591 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -130.68 138.28 49.97 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.12 -0.946 . . . . 2.28 108.695 173.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.727 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -142.68 134.61 27.05 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.299 -0.409 . . . . 0.43 110.031 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 p . . . . . 0 C--N 1.317 -0.823 0 CA-C-N 115.574 -0.739 . . . . 0.55 111.819 -176.676 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.778 0.323 . . . . 2.29 111.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 91' ' ' PHE . 3.1 mpp? -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.173 -0.467 . . . . 1.13 110.383 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 7.0 tpp -152.19 134.26 14.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 0.63 111.873 -178.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -115.96 146.91 41.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.48 109.419 171.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . 60.4 mtt180 -120.89 147.84 44.86 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.119 0.485 . . . . 2.37 110.091 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 2.7 mm? -111.98 102.25 10.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.149 -0.932 . . . . 0.7 108.531 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.3 mm -87.54 100.42 10.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 120.651 -0.42 . . . . 0.41 110.579 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -65.81 152.26 51.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.425 -0.893 . . . . 0.37 112.452 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 21.3 mtpt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.077 0.465 . . . . 1.16 110.255 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 108.741 -0.837 . . . . 2.01 108.741 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.3 ptt180 -123.02 154.6 38.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.902 -0.59 . . . . 2.24 111.228 -170.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 87.2 m-70 -102.4 156.09 17.82 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.9 ttm -131.0 131.51 44.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.655 -0.418 . . . . 0.73 110.95 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.52 141.15 49.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.94 110.364 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.619 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.9 t -109.44 133.06 53.54 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 110.433 -0.21 . . . . 1.3 110.433 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.618 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.5 m-85 -112.42 178.36 4.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.32 109.578 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.22 7.46 12.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.983 -0.553 . . . . 1.17 111.519 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.29 138.72 33.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.624 0.249 . . . . 1.62 110.886 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 3.3 mpt_? -67.4 -38.86 85.3 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.037 -0.528 . . . . 3.68 110.676 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 m -60.5 -50.02 75.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.657 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.99 -53.03 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.061 -0.518 . . . . 0.27 110.731 173.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.458 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 25.9 mtp -46.83 -58.47 3.88 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 112.155 0.428 . . . . 0.84 112.155 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.0 t70 -67.04 -36.95 83.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.408 -0.36 . . . . 0.67 111.368 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -66.95 -53.24 33.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.462 -0.335 . . . . 1.55 110.581 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' A' ' 104' ' ' LEU . 48.3 mm -59.08 -41.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.22 109.945 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.727 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 39.4 mtmt -50.53 -61.6 2.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.92 110.787 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -60.47 -47.42 86.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 1.41 111.736 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 107' ' ' ILE . 94.7 m -52.85 -52.6 56.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.27 110.7 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 48' ' ' LEU . 63.5 mt -60.88 -59.72 4.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.75 -0.659 . . . . 1.03 111.275 177.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.1 tm0? -53.14 -45.9 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.834 -1.075 . . . . 1.72 112.743 -172.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.94 -42.66 84.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.82 0.304 . . . . 2.21 111.82 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.722 HG21 ' HB3' ' A' ' 25' ' ' ALA . 52.1 mt -66.58 -41.0 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.67 -0.493 . . . . 0.39 109.67 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 48' ' ' LEU . 31.0 mt -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.711 -0.677 . . . . 0.4 110.209 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 m -61.57 -29.48 70.05 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.752 -0.658 . . . . 1.32 111.365 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.6 mtt180 -68.37 -28.41 67.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.707 0.289 . . . . 2.87 111.308 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.2 m-85 . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.66 0.743 . . . . 2.75 109.673 176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.404 ' HA ' HG21 ' A' ' 103' ' ' THR . 23.9 m80 . . . . . 0 C--O 1.225 -0.235 0 N-CA-C 111.667 0.247 . . . . 0.61 111.667 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 23.0 p -147.92 165.79 29.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.847 0.832 . . . . 0.28 113.119 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.24 8.58 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 114.026 -1.443 . . . . 0.15 110.108 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.51 116.36 8.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.309 0.576 . . . . 0.19 111.867 -173.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.803 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.77 175.86 6.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.134 -0.939 . . . . 0.16 110.156 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.47 138.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.968 -0.382 . . . . 0.36 109.968 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.6 t80 -148.78 128.9 13.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.623 -0.51 . . . . 0.39 109.623 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.602 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.8 mt-10 64.13 41.86 5.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.482 0.658 . . . . 1.33 110.992 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.44 0.48 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.398 -1.274 . . . . 2.23 113.257 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.529 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -108.7 147.85 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.33 -0.618 . . . . 0.26 109.33 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.6 m -94.34 156.82 16.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.988 -0.551 . . . . 1.29 111.624 -177.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.513 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -174.22 -148.97 6.8 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.712 . . . . 0.17 111.776 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.624 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.53 145.29 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.751 -0.462 . . . . 0.18 109.751 174.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.34 134.56 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.442 -1.318 . . . . 0.17 107.442 172.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.62 110.37 6.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.825 0.345 . . . . 0.15 111.871 -171.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -90.17 128.13 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.177 0.513 . . . . 0.23 110.253 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -117.01 120.41 38.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.44 -0.8 . . . . 1.36 111.02 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 18.9 mt-10 -116.74 71.34 0.79 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 107.721 -1.214 . . . . 1.47 107.721 168.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -112.35 -20.42 11.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 123.269 1.509 . . . . 3.67 108.186 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 m -110.14 -169.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 111.782 -2.463 . . . . 0.9 111.685 -163.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.538 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 36.4 p -73.08 170.1 15.11 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 105.437 -2.06 . . . . 1.23 105.437 172.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 72.3 Cg_exo -33.22 126.55 0.13 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.789 2.326 . . . . 0.56 114.01 -147.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.21 129.27 0.38 Allowed 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 125.492 1.745 . . . . 0.27 112.47 -169.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.5 mt-10 -115.33 144.34 43.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.942 -0.703 . . . . 0.69 109.534 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 18' ' ' ILE . 1.1 tt -103.41 127.4 50.79 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.212 -0.904 . . . . 0.59 108.784 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.5 m -119.05 108.03 14.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.792 -0.64 . . . . 0.22 110.83 -171.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.5 t90 -92.48 124.99 36.92 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.045 -0.724 . . . . 0.22 109.045 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 37' ' ' VAL . 3.2 ptt-85 -127.21 128.5 46.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.86 -0.609 . . . . 1.93 110.556 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.6 p -59.69 151.89 23.92 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.596 -0.729 . . . . 0.27 109.929 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HA2' ' A' ' 14' ' ' GLY . 18.5 p -57.77 -21.75 43.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.347 0.499 . . . . 0.97 112.347 -172.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.36 -28.77 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 2.57 110.659 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.25 3.11 55.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.137 -0.554 . . . . 1.07 112.434 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.33 -47.23 8.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.64 111.618 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.8 tttp -93.02 120.74 33.64 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.26 0.553 . . . . 1.2 110.994 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.7 t -134.96 135.41 52.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 114.941 -1.027 . . . . 0.83 109.589 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -135.56 126.5 27.68 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.078 -0.712 . . . . 0.33 109.078 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -111.87 117.85 33.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.734 0.778 . . . . 0.32 111.609 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 39.8 t -103.27 102.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.65 -1.159 . . . . 0.23 110.431 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.25 110.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.708 0.766 . . . . 0.63 109.287 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -49.69 -31.76 11.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 115.166 1.543 . . . . 1.24 115.166 -172.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 m -63.36 -4.35 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 119.303 0.956 . . . . 1.08 112.365 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -101.76 -3.22 28.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.628 -0.508 . . . . 0.36 109.628 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 19.7 mm -91.99 146.27 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.564 -0.744 . . . . 0.36 109.939 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -103.48 -43.06 5.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.167 0.508 . . . . 0.7 110.354 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 21.1 tptm -143.94 171.35 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.964 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 108' ' ' ILE . 1.5 pt? -132.31 149.15 52.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.688 -0.856 . . . . 1.37 108.688 166.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' CG ' HD11 ' A' ' 63' ' ' ILE . 13.6 mm100 -135.29 139.15 44.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.637 -0.505 . . . . 2.28 109.637 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -122.41 150.05 42.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.439 -0.346 . . . . 0.43 110.087 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 N-CA-C 112.512 0.56 . . . . 0.55 112.512 -174.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp . . . . . 0 N--CA 1.444 -0.738 0 CA-C-O 121.037 0.446 . . . . 2.29 110.628 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 97' ' ' MET . 3.3 mpp? -70.22 118.14 12.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.145 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.0 tpp -152.93 136.83 16.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.63 111.682 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.4 mm? -121.44 146.03 47.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.319 -0.623 . . . . 0.48 109.319 169.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -116.78 142.47 46.87 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.31 0.576 . . . . 2.37 111.384 174.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -105.56 108.12 19.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.932 -1.136 . . . . 0.7 107.932 173.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.597 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.9 mm -87.98 97.98 7.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.661 -0.866 . . . . 0.41 108.661 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.84 147.02 42.62 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 119.943 -1.122 . . . . 0.37 111.862 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.3 mttt . . . . . 0 C--N 1.317 -0.81 0 CA-C-O 121.825 0.822 . . . . 1.16 112.218 -177.261 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.139 0.495 . . . . 2.01 109.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.597 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.2 mtm180 -102.67 134.93 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 112.918 0.71 . . . . 2.24 112.918 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.612 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 12.7 m-70 -102.71 119.55 39.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.101 -1.444 . . . . 0.6 107.101 173.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 34.1 ttm -110.05 128.38 55.39 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.237 -0.585 . . . . 0.73 110.904 -174.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 62' ' ' LEU . 27.8 m-85 -124.69 137.5 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.122 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.0 t -105.11 134.3 48.45 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.582 -0.281 . . . . 1.3 110.86 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.803 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.6 m-85 -111.87 178.17 4.41 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.085 -0.709 . . . . 0.32 109.085 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -135.69 26.94 3.36 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.884 -0.598 . . . . 1.17 110.704 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.22 139.68 35.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.62 110.192 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -71.09 -37.45 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 3.68 110.869 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.6 m -72.14 -47.23 52.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.5 111.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.9 t -47.08 -46.98 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.223 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 58' ' ' MET . 65.8 mmm -44.24 -65.64 0.49 Allowed 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.432 0.458 . . . . 0.84 112.23 172.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.46 -35.43 72.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.522 0.514 . . . . 0.67 111.241 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -67.2 -59.41 3.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.433 -0.349 . . . . 1.55 110.749 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -58.21 -41.52 81.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.22 110.114 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 60' ' ' LEU . 48.9 mtpt -50.76 -64.33 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.92 110.613 175.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 37.8 ttp -56.03 -50.97 69.43 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.872 -1.058 . . . . 1.41 112.27 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 3' ' ' HIS . 78.7 m -49.95 -54.19 21.47 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.358 0.599 . . . . 0.27 111.337 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -67.41 -51.79 47.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.178 -0.919 . . . . 1.03 109.414 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.558 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -49.56 -46.76 49.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.024 -0.989 . . . . 1.72 112.27 -177.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.605 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 51.9 mt-30 -64.31 -44.7 90.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.351 0.13 . . . . 2.21 111.351 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.519 HG21 ' HB3' ' A' ' 25' ' ' ALA . 40.4 mt -65.26 -42.76 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.39 110.16 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 62.8 mt -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.833 -0.622 . . . . 0.4 109.919 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.8 t -58.37 -31.32 67.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.369 -0.378 . . . . 1.32 110.253 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 92.7 mtt180 -62.28 -50.25 72.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.156 -0.474 . . . . 2.87 110.516 176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 8.6 p90 . . . . . 0 C--N 1.332 -0.17 0 C-N-CA 120.355 -0.538 . . . . 2.75 111.915 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' HG21 ' A' ' 103' ' ' THR . 21.8 m80 . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 111.693 0.257 . . . . 0.61 111.693 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 37.4 p -146.06 171.38 14.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.489 0.662 . . . . 0.28 112.501 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.53 146.93 5.1 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 114.394 -1.275 . . . . 0.15 110.359 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.01 118.02 9.88 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.305 0.574 . . . . 0.19 111.477 -172.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.04 174.0 8.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.16 110.057 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.38 129.65 62.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.356 -0.384 . . . . 0.36 110.009 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.621 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 43.6 t80 -143.77 132.51 22.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.39 109.019 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.621 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 45.9 mt-10 66.48 29.6 9.05 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.601 0.715 . . . . 1.33 110.33 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 69.0 -0.4 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.177 -1.374 . . . . 2.23 112.95 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.443 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -100.85 148.72 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.914 -0.773 . . . . 0.26 108.914 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 11.2 t -95.3 152.97 17.91 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.725 -0.67 . . . . 1.29 111.952 -175.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.39 -150.21 7.35 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.84 -1.073 . . . . 0.17 111.559 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.07 145.66 29.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.796 -0.446 . . . . 0.18 109.796 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.04 130.59 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 106.943 -1.503 . . . . 0.17 106.943 170.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.11 110.09 6.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 0.15 112.051 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -91.12 123.41 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.204 0.526 . . . . 0.23 110.746 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -108.92 124.91 51.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.925 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 26.4 mt-10 -120.74 72.42 0.96 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 107.558 -1.275 . . . . 1.47 107.558 167.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.62 -24.35 9.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.126 1.441 . . . . 3.67 108.38 166.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.23 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 112.085 -2.325 . . . . 0.9 112.044 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 15.7 p -73.49 170.79 12.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 N-CA-C 105.684 -1.969 . . . . 1.23 105.684 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.7 Cg_exo -33.7 125.58 0.15 Allowed 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.53 2.153 . . . . 0.56 113.751 -145.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.88 132.03 1.29 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 113.651 -1.613 . . . . 0.27 112.499 -167.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 5.2 mt-10 -118.02 146.04 44.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.206 0.527 . . . . 0.69 109.965 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -103.44 129.13 50.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.406 -0.815 . . . . 0.59 109.126 -178.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.2 m -118.27 107.03 13.4 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 120.586 -0.446 . . . . 0.22 110.952 -173.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -88.45 118.95 28.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.078 -1.082 . . . . 0.22 108.078 169.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.71 ' CB ' HG22 ' A' ' 37' ' ' VAL . 22.0 ptt180 -128.71 130.71 47.5 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.849 -0.614 . . . . 1.93 109.509 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.4 p -64.78 158.45 24.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.877 -0.602 . . . . 0.27 110.995 -171.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.2 p -55.84 -37.9 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.97 110.921 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.73 -29.14 69.04 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.911 -0.586 . . . . 2.57 111.438 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.89 -0.07 66.77 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.449 -0.661 . . . . 1.07 111.449 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.28 -40.73 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.124 0.487 . . . . 2.64 110.649 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 14.0 mttt -95.29 130.25 42.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 1.2 110.901 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.7 t -144.06 123.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.532 -0.914 . . . . 0.83 108.532 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' THR . 12.4 m-70 -128.69 125.27 37.64 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.393 -0.595 . . . . 0.33 109.393 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.64 120.48 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.527 0.679 . . . . 0.32 112.109 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 28.5 t -104.61 101.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.869 -1.06 . . . . 0.23 110.543 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -73.54 119.26 20.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.632 0.73 . . . . 0.63 109.383 175.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 45' ' ' ILE . 53.2 mt -67.87 -13.89 62.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.024 1.12 . . . . 1.24 114.024 -165.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 p -70.97 -14.49 62.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.901 0.382 . . . . 1.08 111.1 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -92.94 -3.13 55.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.318 0.58 . . . . 0.36 109.789 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.584 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 21.1 mm -94.38 137.96 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.35 -0.841 . . . . 0.36 111.104 -177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -103.72 -42.9 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.7 110.873 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HB3' HG13 ' A' ' 63' ' ' ILE . 7.4 mmtt -135.17 176.01 9.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.584 0.707 . . . . 1.56 111.277 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.77 141.33 27.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.899 -1.046 . . . . 1.37 108.559 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 37.2 mt-30 -135.48 149.32 49.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.666 0.27 . . . . 2.28 110.357 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.554 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -139.48 147.54 41.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.557 -0.535 . . . . 0.43 109.557 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.324 -0.521 0 N-CA-C 112.022 0.378 . . . . 0.55 112.022 -176.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.303 0.573 . . . . 2.29 111.54 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.572 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -96.51 122.67 39.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.28 -0.873 . . . . 1.13 109.84 -174.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.7 tpp -149.37 138.41 21.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.736 0.303 . . . . 0.63 111.33 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 101' ' ' LYS . 1.1 mm? -121.0 145.3 47.9 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.954 -0.566 . . . . 0.48 109.598 167.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.4 mtt180 -117.35 140.75 49.17 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.615 -0.72 . . . . 2.37 111.403 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -105.61 104.14 13.79 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.446 -1.252 . . . . 0.7 108.286 170.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 13.1 mm -87.26 99.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.112 -0.699 . . . . 0.41 109.112 -178.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.39 161.59 53.44 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.92 -0.872 . . . . 0.37 110.92 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 81.9 mttt . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 121.727 0.775 . . . . 1.16 110.083 179.065 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 109.382 -0.599 . . . . 2.01 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -118.17 148.28 42.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.772 0.796 . . . . 2.24 112.534 -171.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.2 m-70 -105.21 148.54 26.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.612 -1.176 . . . . 0.6 107.968 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.7 ttm -133.55 130.41 38.4 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.521 -0.471 . . . . 0.73 110.746 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -126.8 136.14 51.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.94 110.604 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.547 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 46.9 m -103.18 126.7 50.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.788 -0.642 . . . . 1.3 111.884 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.5 m-85 -112.91 179.16 4.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.701 -0.481 . . . . 0.32 109.701 173.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.434 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 11.6 p30 -135.7 26.89 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.648 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.45 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -143.48 125.18 14.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.082 -0.71 . . . . 1.62 109.082 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 97' ' ' MET . 7.7 tpt180 -73.75 -30.59 62.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 3.68 111.009 -173.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.45 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 22.7 m -64.52 -47.92 77.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.435 -0.348 . . . . 0.5 110.17 175.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -51.44 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.27 110.353 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 13.3 mtp -45.62 -57.4 4.22 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.165 0.431 . . . . 0.84 112.165 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 29.6 t70 -63.35 -40.72 98.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.67 111.561 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -66.5 -54.58 22.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.493 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.804 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -58.18 -41.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.22 110.152 175.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 14.9 mtmt -49.01 -64.84 0.69 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.523 0.677 . . . . 0.92 110.581 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.3 ttp -56.88 -49.24 76.12 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.358 -1.292 . . . . 1.41 111.765 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 107' ' ' ILE . 68.0 m -50.66 -47.22 58.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.27 111.251 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.6 mp -79.7 -49.95 11.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.825 -0.625 . . . . 1.03 109.494 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -55.21 -44.16 75.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.531 -1.213 . . . . 1.72 111.901 -177.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.73 -44.56 89.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.379 0.133 . . . . 2.21 111.007 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 25' ' ' ALA . 78.2 mt -61.94 -41.79 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.065 0.46 . . . . 0.39 110.217 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.15 -45.42 98.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.912 -0.586 . . . . 0.4 110.33 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.9 t -61.04 -37.29 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 1.32 110.529 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.65 -34.95 75.05 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.186 0.595 . . . . 2.87 111.345 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 2.75 110.673 177.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.6 m80 . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 111.806 0.299 . . . . 0.61 111.806 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.61 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 52.7 p -152.48 167.26 29.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.794 0.807 . . . . 0.28 112.727 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.94 148.94 5.79 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 114.052 -1.431 . . . . 0.15 110.311 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.89 115.94 7.2 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.274 0.559 . . . . 0.19 111.646 -173.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.52 177.51 5.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.86 -1.064 . . . . 0.16 109.901 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.17 138.23 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 110.32 -0.252 . . . . 0.36 110.32 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 48.2 t80 -147.35 132.86 18.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.688 -0.856 . . . . 0.39 108.688 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.9 mt-10 65.19 32.28 10.2 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.168 0.509 . . . . 1.33 110.694 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.7 mmtm 65.09 4.05 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.885 -1.052 . . . . 2.23 113.463 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.48 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -104.84 148.41 9.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.876 -0.787 . . . . 0.26 108.876 171.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 16.2 t -95.74 154.11 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.393 0.616 . . . . 1.29 111.676 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.66 -150.47 7.35 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 114.755 -1.111 . . . . 0.17 111.435 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.636 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.58 144.88 29.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 0.18 109.863 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.13 129.38 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 106.975 -1.491 . . . . 0.17 106.975 171.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.41 111.64 7.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.833 0.349 . . . . 0.15 111.86 -169.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -90.11 127.54 42.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.167 0.508 . . . . 0.23 110.521 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -114.71 119.94 38.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.363 -0.835 . . . . 1.36 110.551 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 9.4 mt-10 -122.38 72.83 1.08 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.468 -0.938 . . . . 1.47 108.468 168.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.04 -20.56 11.46 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.104 1.43 . . . . 3.67 108.185 164.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 23' ' ' SER . 26.5 m -107.47 -170.23 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 112.116 -2.311 . . . . 0.9 111.601 -161.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 9.1 p -73.56 168.84 21.71 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 105.853 -1.906 . . . . 1.23 105.853 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 49.9 Cg_exo -34.87 126.33 0.22 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.363 2.042 . . . . 0.56 113.597 -144.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.78 131.05 1.38 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 113.527 -1.67 . . . . 0.27 112.543 -166.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -117.72 148.89 41.59 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.231 0.539 . . . . 0.69 110.49 -176.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -103.11 129.85 50.09 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.381 -0.827 . . . . 0.59 108.914 179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -118.52 108.02 14.48 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.187 -0.46 . . . . 0.22 111.048 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -91.76 121.39 33.35 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.689 -0.856 . . . . 0.22 108.689 171.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.843 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -125.04 128.96 49.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.979 -0.555 . . . . 1.93 110.284 177.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.1 p -60.71 156.76 16.13 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 0.27 110.279 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' HA2' ' A' ' 14' ' ' GLY . 27.6 p -59.31 -20.71 56.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.841 -0.618 . . . . 0.97 112.175 -173.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.33 -28.45 29.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.483 . . . . 2.57 110.713 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.02 -1.43 57.74 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.835 -0.62 . . . . 1.07 112.092 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.52 -47.07 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.788 0.328 . . . . 2.64 111.582 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 9.0 mttp -91.54 130.54 37.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.311 -0.404 . . . . 1.2 111.399 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.4 t -138.87 125.3 24.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.95 -0.759 . . . . 0.83 108.95 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.5 117.38 20.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.042 -0.725 . . . . 0.33 109.042 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 26' ' ' GLU . 1.1 m -109.67 124.49 51.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.709 0.766 . . . . 0.32 112.037 -171.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 t -109.55 103.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.611 -1.177 . . . . 0.23 110.738 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -70.86 116.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.708 . . . . 0.63 109.405 175.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.45 -17.52 63.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.82 -1.082 . . . . 1.24 113.063 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 29.3 t -66.29 -15.1 62.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.771 0.319 . . . . 1.08 110.84 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 p -102.87 4.6 37.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.579 -0.282 . . . . 0.36 110.843 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.4 mm -100.59 130.59 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.03 0.443 . . . . 0.36 110.879 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -91.35 -47.18 7.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.7 110.916 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 63' ' ' ILE . 40.3 tptt -133.62 169.97 16.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.425 0.631 . . . . 1.56 110.138 -175.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -146.0 137.52 24.87 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.224 -0.898 . . . . 1.37 108.86 176.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -144.15 138.11 27.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.033 0.444 . . . . 2.28 111.522 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.587 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -112.01 166.54 11.14 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.598 -0.728 . . . . 0.43 109.308 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.55 111.108 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.072 0.463 . . . . 2.29 111.679 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.676 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.4 mpp? -77.12 116.1 17.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 1.13 111.191 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.4 tpp -153.32 137.06 16.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.96 -0.563 . . . . 0.63 111.899 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -119.94 147.79 44.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.474 -0.565 . . . . 0.48 109.474 170.034 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -116.94 141.89 47.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.879 -0.601 . . . . 2.37 111.584 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -108.66 103.69 12.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.731 -1.122 . . . . 0.7 108.707 171.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.583 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.0 mm -87.84 99.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.284 -0.635 . . . . 0.41 109.284 -176.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.52 148.91 46.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.534 -0.841 . . . . 0.37 112.744 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mttt . . . . . 0 CA--C 1.508 -0.67 0 CA-C-O 121.668 0.747 . . . . 1.16 112.09 -177.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 109.614 -0.513 . . . . 2.01 109.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -106.32 147.93 28.61 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.572 0.701 . . . . 2.24 112.012 -173.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 66.6 m-70 -102.83 153.86 19.76 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.566 -1.272 . . . . 0.6 107.566 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.3 ttm -135.88 128.83 31.32 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.12 -0.632 . . . . 0.73 110.977 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.87 137.74 53.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.94 110.307 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.4 t -106.99 134.38 50.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.715 0.293 . . . . 1.3 111.142 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.3 m-85 -113.29 179.8 3.86 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.321 -0.622 . . . . 0.32 109.321 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.52 20.07 7.98 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.523 . . . . 1.17 110.407 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.531 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 23.9 t-20 -147.24 129.9 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 1.62 110.379 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 18.6 mmm180 -68.26 -36.96 80.24 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 3.68 111.165 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.531 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 44.7 m -64.85 -46.89 79.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 0.5 110.809 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.72 -51.53 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 115.996 -0.547 . . . . 0.27 110.382 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.4 mtp -46.46 -64.28 0.8 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.37 0.419 . . . . 0.84 111.837 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.7 t70 -53.43 -38.89 63.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.513 0.508 . . . . 0.67 111.735 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.33 -61.11 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.092 0.245 . . . . 1.55 110.849 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.9 mm -54.33 -48.02 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.22 109.809 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' HD21 ' A' ' 60' ' ' LEU . 4.0 ttpp -47.65 -55.65 8.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.697 -0.683 . . . . 0.92 110.666 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.59 -51.46 62.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.883 -0.599 . . . . 1.41 111.324 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 107' ' ' ILE . 28.3 m -46.37 -54.46 9.0 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.893 0.745 . . . . 0.27 110.98 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -68.9 -51.14 43.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.057 -0.974 . . . . 1.03 109.667 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -50.77 -46.96 59.71 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.123 -0.944 . . . . 1.72 111.787 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 54.6 mt-30 -67.95 -43.86 78.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.127 -0.488 . . . . 2.21 111.291 -177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 103' ' ' THR . 59.1 mt -64.47 -38.89 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.826 0.346 . . . . 0.39 110.279 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.0 mt -57.44 -45.32 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.4 110.109 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 42.2 t -63.72 -32.9 74.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.496 -0.775 . . . . 1.32 110.743 178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 96.6 mtt180 -63.1 -34.46 77.64 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.66 -0.246 . . . . 2.87 110.847 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.302 0.572 . . . . 2.75 110.501 179.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m80 . . . . . 0 C--O 1.223 -0.318 0 N-CA-C 111.479 0.178 . . . . 0.61 111.479 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 13.0 p -153.89 159.28 41.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.557 0.694 . . . . 0.28 112.341 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.25 152.51 9.38 Favored Glycine 0 CA--C 1.498 -1.024 0 CA-C-N 114.39 -1.277 . . . . 0.15 110.419 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.56 117.75 9.19 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.532 0.682 . . . . 0.19 111.7 -173.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.692 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.15 172.26 9.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.861 -1.063 . . . . 0.16 109.466 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -131.43 134.38 60.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 116.315 -0.402 . . . . 0.36 109.918 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 46.0 t80 -147.92 130.52 15.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.22 -0.659 . . . . 0.39 109.22 -175.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 49.9 mt-10 63.23 37.65 11.04 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.601 0.715 . . . . 1.33 110.917 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.17 4.4 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.663 -1.153 . . . . 2.23 113.443 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.519 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -108.33 148.78 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.679 -0.86 . . . . 0.26 108.679 171.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 8.2 m -97.06 154.81 17.1 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.547 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.98 -149.81 7.03 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.17 111.849 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.63 145.73 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.459 . . . . 0.18 109.762 174.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -99.9 132.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 107.073 -1.454 . . . . 0.17 107.073 171.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.36 110.8 6.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.931 0.395 . . . . 0.15 111.918 -170.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.6 mp -92.63 123.98 44.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.145 0.498 . . . . 0.23 110.069 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -115.02 128.09 56.06 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.423 -0.808 . . . . 1.36 111.463 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -120.62 71.99 0.94 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.076 -1.083 . . . . 1.47 108.076 166.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.08 -24.77 10.13 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 123.188 1.471 . . . . 3.67 108.1 165.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 27.1 m -107.12 -170.43 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 CA-C-N 111.756 -2.475 . . . . 0.9 111.245 -162.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.5 m -73.04 169.34 18.12 Favored Pre-proline 0 C--N 1.313 -0.983 0 N-CA-C 105.616 -1.994 . . . . 1.23 105.616 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -34.19 125.49 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.659 2.239 . . . . 0.56 113.745 -146.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -36.78 130.1 0.78 Allowed 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.445 -1.707 . . . . 0.27 112.769 -166.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.7 mt-10 -116.48 150.02 38.57 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.24 -0.584 . . . . 0.69 109.824 -176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -102.35 128.72 48.8 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.656 -0.868 . . . . 0.59 108.656 179.345 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.5 m -122.19 107.88 12.66 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 116.119 -0.491 . . . . 0.22 111.088 -170.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 86.3 t90 -90.42 119.98 31.15 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.089 -0.708 . . . . 0.22 109.089 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.847 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -121.46 124.84 45.43 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.75 -0.659 . . . . 1.93 110.25 177.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.429 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 95.2 p -58.3 150.4 22.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.247 -0.888 . . . . 0.27 109.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' HA2' ' A' ' 14' ' ' GLY . 23.7 p -49.75 -37.36 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.963 0.357 . . . . 0.97 111.963 -173.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -29.19 69.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.22 -0.446 . . . . 2.57 111.661 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.12 3.28 57.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.094 -0.574 . . . . 1.07 111.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.27 -62.62 1.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.12 0.486 . . . . 2.64 110.692 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 4.3 mttp -79.43 120.63 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.2 111.326 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.8 t -131.01 120.41 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.922 -0.769 . . . . 0.83 108.922 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' THR . 22.4 m-70 -121.16 122.55 40.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.388 -0.597 . . . . 0.33 109.388 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.3 129.04 56.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.24 0.543 . . . . 0.32 111.59 -172.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.6 t -118.49 101.61 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.202 -0.908 . . . . 0.23 110.353 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -69.74 115.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.596 0.712 . . . . 0.63 109.384 176.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 mt -64.4 -15.71 61.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.903 -1.044 . . . . 1.24 112.971 -169.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.553 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 21.6 t -68.23 -17.44 64.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.672 0.272 . . . . 1.08 110.567 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -95.8 1.47 53.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.36 110.934 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.521 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 14.7 mm -102.21 140.59 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.36 111.043 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 22.9 t70 -104.19 -44.42 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.61 . . . . 0.7 111.239 -177.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 63' ' ' ILE . 46.8 tptt -133.07 167.02 21.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.202 0.525 . . . . 1.56 110.106 -175.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.98 130.98 23.13 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.544 -0.753 . . . . 1.37 109.694 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 16.1 mm-40 -124.95 155.38 39.69 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.611 -0.722 . . . . 2.28 110.265 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' MET . . . -149.02 163.75 36.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.244 -0.435 . . . . 0.43 110.155 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-O 120.845 0.355 . . . . 0.55 111.645 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.224 0.535 . . . . 2.29 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -116.66 119.16 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.844 -0.616 . . . . 1.13 110.685 -172.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ALA . 13.1 tpp -138.35 132.93 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.62 -0.263 . . . . 0.63 110.624 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -114.62 146.2 41.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.811 -0.44 . . . . 0.48 109.811 175.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.8 mtm180 -124.82 137.19 54.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.601 0.715 . . . . 2.37 111.586 171.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -102.96 102.79 12.86 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.086 -1.415 . . . . 0.7 108.709 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.1 mm -87.61 100.54 10.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 109.717 -0.475 . . . . 0.41 109.717 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.521 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -66.97 151.39 52.45 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.545 -0.836 . . . . 0.37 112.802 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 66.2 mttt . . . . . 0 CA--C 1.504 -0.817 0 CA-C-O 122.32 1.057 . . . . 1.16 112.103 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 109.053 -0.721 . . . . 2.01 109.053 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.7 ptt180 -111.56 159.7 17.89 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.261 0.553 . . . . 2.24 111.86 -172.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 48.3 m-70 -116.53 146.59 42.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.3 -1.0 . . . . 0.6 108.3 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.5 ttm -127.94 129.89 47.55 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.051 -0.66 . . . . 0.73 111.257 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -125.47 136.96 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.052 0.453 . . . . 0.94 110.124 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.531 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 19.3 m -97.5 151.69 19.76 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.445 -0.798 . . . . 1.3 109.498 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.9 m-85 -128.45 178.53 6.22 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.042 -0.725 . . . . 0.32 109.042 168.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -134.35 30.72 3.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.78 -0.646 . . . . 1.17 110.155 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.437 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.6 t-20 -149.17 121.46 8.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.593 -0.892 . . . . 1.62 108.593 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.6 ttp180 -72.71 -26.71 61.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 3.68 111.177 -171.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.437 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 21.7 m -67.5 -47.01 71.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.315 -0.402 . . . . 0.5 110.388 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.9 t -49.98 -58.3 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 115.838 -0.619 . . . . 0.27 111.623 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.638 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 ptm -53.88 -48.08 70.42 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 120.803 -0.359 . . . . 0.84 111.805 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 97' ' ' MET . 18.2 t70 -60.8 -43.35 98.24 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 123.744 0.653 . . . . 0.67 111.672 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -63.89 -51.32 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.457 -0.338 . . . . 1.55 110.753 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.4 mm -58.1 -46.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.769 -0.65 . . . . 0.22 109.593 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 25.3 mtpt -42.51 -64.97 0.52 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.419 0.628 . . . . 0.92 111.707 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.2 ttp -57.91 -48.3 80.27 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.551 -1.204 . . . . 1.41 111.909 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 m -55.41 -48.05 74.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.486 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -71.56 -49.46 40.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.329 0.585 . . . . 1.03 109.524 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.25 -51.41 54.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.53 -1.214 . . . . 1.72 111.782 -177.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -67.23 -43.16 82.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.875 0.324 . . . . 2.21 111.875 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 103' ' ' THR . 64.7 mt -62.26 -41.07 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.007 -0.368 . . . . 0.39 110.007 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.95 -51.86 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.4 110.562 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -64.42 -23.35 67.25 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.706 -0.679 . . . . 1.32 111.451 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.8 -31.04 56.7 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 120.992 0.425 . . . . 2.87 110.115 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 2.75 109.954 174.185 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.2 m80 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 120.626 0.25 . . . . 0.61 111.384 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 15.9 p -147.41 167.12 25.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.387 0.613 . . . . 0.28 111.313 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.2 149.53 6.57 Favored Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 114.562 -1.199 . . . . 0.15 110.266 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.8 120.28 13.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.416 0.627 . . . . 0.19 111.119 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.3 172.78 10.31 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.157 -0.929 . . . . 0.16 109.693 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.06 133.68 62.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 109.95 -0.389 . . . . 0.36 109.95 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 49.4 t80 -149.9 136.89 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.899 -0.778 . . . . 0.39 108.899 -175.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.614 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 44.6 mt-10 62.21 34.3 16.17 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.319 0.581 . . . . 1.33 111.184 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.2 11.87 5.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.663 -1.153 . . . . 2.23 112.554 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HH2' ' A' ' 29' ' ' TRP . 1.8 p -116.81 149.0 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.778 -0.823 . . . . 0.26 108.778 172.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.9 m -91.57 154.1 19.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.155 0.502 . . . . 1.29 111.717 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.531 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -169.71 -154.51 9.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.501 -0.772 . . . . 0.17 111.898 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -121.97 145.75 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.454 -0.572 . . . . 0.18 109.454 172.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.44 132.65 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 107.256 -1.387 . . . . 0.17 107.256 170.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.3 106.64 5.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.323 0.49 . . . . 0.15 112.323 -170.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 mp -86.44 119.21 34.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.651 -0.499 . . . . 0.23 109.651 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -108.09 124.27 49.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.624 -0.716 . . . . 1.36 111.27 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.24 71.66 0.87 Allowed 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.861 -1.163 . . . . 1.47 107.861 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -112.91 -24.1 9.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 122.866 1.317 . . . . 3.67 108.419 165.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.24 -170.42 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 112.394 -2.185 . . . . 0.9 111.65 -162.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.461 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 61.6 m -74.33 170.91 12.78 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 105.939 -1.874 . . . . 1.23 105.939 172.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 52.3 Cg_exo -33.69 125.81 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.524 2.15 . . . . 0.56 113.691 -143.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.67 131.78 1.73 Allowed 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 113.865 -1.516 . . . . 0.27 112.216 -167.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.89 147.48 42.16 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.327 -176.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -102.32 128.69 48.78 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.606 -0.887 . . . . 0.59 108.606 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.1 m -120.38 107.35 12.81 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.279 -0.419 . . . . 0.22 110.88 -173.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 84.0 t90 -89.17 122.55 32.57 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.179 -1.045 . . . . 0.22 108.179 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.896 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -133.23 127.72 34.33 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.51 0.671 . . . . 1.93 111.09 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.46 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.5 p -60.42 142.74 54.62 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.113 -1.403 . . . . 0.27 109.81 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' HA2' ' A' ' 14' ' ' GLY . 13.5 p -56.34 -23.21 35.83 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.756 0.66 . . . . 0.97 111.954 -173.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.42 -27.34 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 2.57 111.116 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.63 -1.02 56.8 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.166 -0.54 . . . . 1.07 112.393 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.93 -62.91 1.43 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.742 0.306 . . . . 2.64 111.694 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 8.9 mttp -75.99 129.72 37.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.2 111.409 -178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -141.37 124.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.94 -0.763 . . . . 0.83 108.94 176.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.1 m-70 -128.35 122.64 31.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.8 -0.444 . . . . 0.33 109.8 -177.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.41 120.1 40.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.374 0.606 . . . . 0.32 112.152 -170.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -108.83 102.12 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.105 -0.952 . . . . 0.23 110.491 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.19 117.15 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.323 0.583 . . . . 0.63 109.461 175.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 2.7 mm? -51.25 -27.59 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.009 -0.996 . . . . 1.24 113.636 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 13.9 t -61.38 -16.59 47.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 1.08 111.494 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -102.19 3.48 38.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.36 110.639 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 22.4 mm -98.91 140.24 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.36 110.647 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -99.23 -44.23 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.943 -0.571 . . . . 0.7 110.478 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 47.8 tptt -144.56 175.14 10.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 1.56 109.774 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.657 HD21 ' HG2' ' A' ' 105' ' ' GLN . 2.4 pt? -140.86 153.66 45.83 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.582 -0.895 . . . . 1.37 108.582 168.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.57 140.04 40.77 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.908 -0.404 . . . . 2.28 109.908 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.17 150.93 49.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.211 -0.449 . . . . 0.43 110.631 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.55 112.119 -176.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt . . . . . 0 N--CA 1.447 -0.587 0 CA-C-O 121.473 0.654 . . . . 2.29 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.587 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 23.5 mtm -107.74 115.09 29.52 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.831 -1.077 . . . . 1.13 111.217 -167.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.477 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.9 tpp -143.06 139.83 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.63 111.778 -172.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD11 ' HG3' ' A' ' 101' ' ' LYS . 1.0 OUTLIER -121.01 145.74 47.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.704 -0.48 . . . . 0.48 109.704 168.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -112.89 151.35 30.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.827 -0.624 . . . . 2.37 110.564 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -114.42 105.68 13.41 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.732 -1.21 . . . . 0.7 107.732 174.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.4 mm -88.31 97.79 7.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.444 -0.947 . . . . 0.41 108.444 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -76.73 151.17 39.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.427 -0.892 . . . . 0.37 112.643 -173.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.7 mttt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 121.814 0.816 . . . . 1.16 112.017 -177.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.113 0.483 . . . . 2.01 109.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.548 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.4 mtt180 -102.85 142.85 33.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.726 0.774 . . . . 2.24 112.941 -173.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 29.4 m-70 -116.7 140.25 49.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.293 -1.373 . . . . 0.6 107.293 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.0 ttm -128.07 131.25 49.1 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.147 -0.621 . . . . 0.73 110.78 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CE1' HD23 ' A' ' 62' ' ' LEU . 16.6 m-85 -128.99 137.42 51.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.94 110.499 -177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.63 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 36.8 m -100.07 131.74 45.85 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.842 -0.617 . . . . 1.3 111.337 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 88.1 m-85 -113.38 176.98 4.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.132 0.492 . . . . 0.32 110.63 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -137.43 14.89 2.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.263 -0.88 . . . . 1.17 111.336 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.22 142.15 39.96 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.113 0.482 . . . . 1.62 110.389 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.587 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 28.7 mmt-85 -70.7 -42.82 70.16 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.339 -0.846 . . . . 3.68 111.372 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 m -64.97 -47.22 78.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.951 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.5 t -46.35 -51.39 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.576 0.548 . . . . 0.27 111.266 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 3.9 mtp -44.52 -60.09 2.13 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 112.303 0.483 . . . . 0.84 112.303 174.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 18.6 t70 -69.87 -34.03 73.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.297 -173.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -69.35 -52.48 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.078 -0.342 . . . . 1.55 110.078 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -59.32 -40.51 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.22 109.841 175.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 60' ' ' LEU . 2.4 mtmt -50.66 -64.89 0.67 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.92 110.536 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.2 ttm -55.47 -50.3 70.23 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.617 -1.174 . . . . 1.41 111.744 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -49.23 -57.82 6.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.27 111.218 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.19 -55.91 26.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 1.03 111.116 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.657 ' HG2' HD21 ' A' ' 48' ' ' LEU . 16.4 tm0? -44.05 -54.53 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.846 -1.07 . . . . 1.72 112.621 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 91.7 mt-30 -63.9 -44.83 91.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.741 -0.209 . . . . 2.21 110.993 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 25' ' ' ALA . 75.9 mt -62.75 -44.64 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.848 0.356 . . . . 0.39 110.59 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.602 HD12 HD22 ' A' ' 48' ' ' LEU . 89.0 mt -54.75 -44.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.188 0.518 . . . . 0.4 110.461 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -69.76 -30.62 68.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.32 110.888 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.4 mtt180 -62.13 -33.2 74.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.207 0.527 . . . . 2.87 110.65 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CE2' HG22 ' A' ' 107' ' ' ILE . 25.1 m-85 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 2.75 110.25 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.5 m80 . . . . . 0 N--CA 1.467 0.392 0 N-CA-C 112.343 0.497 . . . . 0.61 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.8 p -166.95 165.31 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.28 111.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.08 148.91 6.1 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 114.723 -1.126 . . . . 0.15 110.44 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.44 116.3 8.03 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.291 0.567 . . . . 0.19 111.614 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.93 164.01 21.71 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.264 -0.88 . . . . 0.16 109.778 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -124.13 139.33 50.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.633 -0.506 . . . . 0.36 109.633 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -143.53 117.81 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.67 0.271 . . . . 0.39 110.826 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 49.47 64.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.488 -0.778 . . . . 1.33 112.851 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.63 3.43 4.67 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.388 -1.278 . . . . 2.23 113.897 170.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.8 p -126.64 146.16 32.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.044 0.449 . . . . 0.26 110.019 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.673 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.5 m -96.74 158.92 15.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.655 -0.702 . . . . 1.29 111.246 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -177.18 -149.16 7.61 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.026 -0.607 . . . . 0.17 112.689 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.91 147.37 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 123.498 0.719 . . . . 0.18 109.124 174.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.73 131.67 47.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.157 -1.423 . . . . 0.17 107.157 169.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.45 121.96 16.2 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.731 0.301 . . . . 0.15 111.164 -172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 HD11 ' A' ' 104' ' ' LEU . 2.5 mp -98.65 125.74 51.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.048 0.928 . . . . 0.23 112.605 -173.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.529 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 14.4 m-20 -82.68 151.6 26.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.366 -1.743 . . . . 1.36 110.256 174.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' VAL . 27.6 mt-10 -121.24 -135.23 0.31 Allowed 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 126.402 1.881 . . . . 1.47 108.111 -169.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -47.45 24.14 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 128.781 2.832 . . . . 3.67 115.889 -169.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' GLU . 29.6 m -96.33 -167.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 N-CA-C 106.32 -1.733 . . . . 0.9 106.32 172.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -69.53 144.86 94.72 Favored Pre-proline 0 C--N 1.312 -1.057 0 N-CA-C 105.225 -2.139 . . . . 1.23 105.225 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 80.8 Cg_exo -34.04 126.76 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.182 2.588 . . . . 0.56 114.167 -143.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.711 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -29.27 121.34 0.14 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.192 -1.822 . . . . 0.27 112.339 -166.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -114.58 138.03 51.15 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.067 -0.515 . . . . 0.69 110.322 -170.161 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD13 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -101.35 125.57 48.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.618 0.723 . . . . 0.59 109.265 -178.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 5.9 m -114.79 107.53 15.56 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.372 -0.831 . . . . 0.22 110.637 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 69.8 t90 -87.93 123.96 33.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.214 -1.402 . . . . 0.22 107.214 167.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.719 ' CB ' HG22 ' A' ' 37' ' ' VAL . 10.5 ptt180 -133.25 138.27 46.4 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 121.454 0.645 . . . . 1.93 110.167 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 97.0 p -68.58 156.92 37.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.633 -1.167 . . . . 0.27 110.781 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.462 HG23 ' HA2' ' A' ' 14' ' ' GLY . 12.7 p -58.58 -23.23 58.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.375 -0.83 . . . . 0.97 113.062 -170.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.08 -20.14 35.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.036 0.446 . . . . 2.57 111.003 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.66 7.02 69.45 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.768 -0.651 . . . . 1.07 111.507 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.72 -64.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 2.64 110.895 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 tttt -78.57 130.22 35.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 116.012 -0.54 . . . . 1.2 110.199 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 ' CB ' ' A' ' 30' ' ' ARG . 4.0 t -147.13 129.15 6.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.622 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.594 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m-70 -131.24 129.18 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.437 -0.579 . . . . 0.33 109.437 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.78 117.17 29.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.61 . . . . 0.32 111.559 -172.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 57.2 t -103.39 101.11 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 0.23 111.051 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -69.13 115.75 8.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.041 -0.725 . . . . 0.63 109.041 174.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 45' ' ' ILE . 45.0 mt -65.05 -14.64 60.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.349 0.87 . . . . 1.24 113.349 -168.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 17.2 t -66.52 -14.79 62.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 1.08 110.712 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -100.04 5.78 45.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.36 111.056 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 25.8 mm -101.84 147.56 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 116.174 -0.466 . . . . 0.36 111.457 -178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 38.5 t70 -114.97 -40.58 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.7 111.876 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.5 tmtt? -135.26 174.48 10.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.298 0.571 . . . . 1.56 110.338 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -144.18 140.41 29.31 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.631 -0.878 . . . . 1.37 108.631 174.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 99.2 mt-30 -128.26 142.75 51.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.42 -0.355 . . . . 2.28 110.354 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -144.32 145.59 32.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.814 -0.63 . . . . 0.43 109.518 -176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.11 0.481 . . . . 0.55 111.941 -175.24 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 121.369 0.604 . . . . 2.29 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.1 mpt? -102.03 113.43 26.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.403 -0.817 . . . . 1.13 110.833 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -143.85 139.06 29.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 0.63 110.971 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.67 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -123.72 152.2 42.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.809 -0.632 . . . . 0.48 109.539 171.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 86.2 mtt180 -128.48 145.94 50.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.206 0.527 . . . . 2.37 111.323 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.8 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -108.05 106.18 16.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.01 -0.996 . . . . 0.7 108.835 171.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 11.0 mm -88.88 100.22 10.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.87 -0.332 . . . . 0.41 110.211 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.74 152.64 50.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.769 -0.729 . . . . 0.37 112.457 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 56.7 mttt . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 121.726 0.774 . . . . 1.16 112.259 -178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 108.638 -0.875 . . . . 2.01 108.638 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -124.55 155.1 39.59 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.281 0.563 . . . . 2.24 111.891 -172.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 83.6 m-70 -109.85 141.98 41.79 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.445 -0.946 . . . . 0.6 108.445 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.0 ttm -126.55 124.78 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.585 0.629 . . . . 0.73 111.676 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.8 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.2 m-85 -115.56 142.24 46.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.736 -0.666 . . . . 0.94 111.397 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.534 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 49.3 m -111.51 121.98 46.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.751 -0.659 . . . . 1.3 111.17 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 74.4 m-85 -111.95 178.45 4.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.975 -0.75 . . . . 0.32 108.975 173.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.0 p30 -136.0 28.01 3.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.301 0.572 . . . . 1.17 110.249 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.508 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 21.3 t-20 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.82 -0.808 . . . . 1.62 108.82 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.6 -27.48 55.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 3.68 110.47 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.508 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 80.9 m -66.38 -49.71 65.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.5 110.181 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 91' ' ' PHE . 41.8 t -49.63 -51.56 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 115.746 -0.661 . . . . 0.27 110.31 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.659 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 7.1 mtp -44.6 -64.62 0.66 Allowed 'General case' 0 C--O 1.218 -0.555 0 O-C-N 123.648 0.592 . . . . 0.84 112.192 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.13 -36.14 72.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.673 0.273 . . . . 0.67 111.44 -173.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -70.6 -54.95 10.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 1.55 110.849 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -57.27 -46.22 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 0.22 109.81 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.67 ' HG2' HD11 ' A' ' 60' ' ' LEU . 45.0 mtpt -46.31 -64.39 0.77 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.92 110.67 175.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtm -59.15 -47.98 83.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.644 -1.162 . . . . 1.41 112.067 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 107' ' ' ILE . 99.8 m -51.02 -51.56 51.87 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.343 0.592 . . . . 0.27 111.096 -177.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.9 mp -72.73 -50.68 23.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.218 -0.901 . . . . 1.03 109.095 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.0 tm0? -50.63 -51.94 44.19 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.549 -1.205 . . . . 1.72 111.805 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 19.9 mm-40 -66.29 -42.77 87.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.289 -0.414 . . . . 2.21 112.082 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 25' ' ' ALA . 66.2 mt -65.15 -41.36 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.321 -0.552 . . . . 0.39 110.1 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mt -53.0 -51.02 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 0.4 110.204 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.6 m -66.77 -25.32 66.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.315 -0.857 . . . . 1.32 111.795 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.1 mtt180 -67.02 -31.29 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 2.87 110.247 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.396 0.617 . . . . 2.75 110.0 178.007 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m80 . . . . . 0 C--O 1.223 -0.297 0 CA-C-O 120.605 0.24 . . . . 0.61 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 20.4 p -142.6 166.7 23.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.413 0.625 . . . . 0.28 112.384 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.28 148.53 6.4 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.595 -1.184 . . . . 0.15 110.535 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.656 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.67 119.3 11.54 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.377 0.608 . . . . 0.19 112.048 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -128.31 174.27 9.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.959 -1.019 . . . . 0.16 109.96 -177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.653 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.49 137.26 55.74 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 116.392 -0.367 . . . . 0.36 110.086 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.4 t80 -148.42 129.16 14.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.088 -0.708 . . . . 0.39 109.088 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.5 mt-10 66.32 36.53 5.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.209 0.528 . . . . 1.33 111.01 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt 65.88 -2.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.903 -1.044 . . . . 2.23 113.094 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -101.35 148.46 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.84 -0.8 . . . . 0.26 108.84 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.653 ' HA ' HG13 ' A' ' 8' ' ' ILE . 6.9 m -100.52 153.78 19.09 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.793 -0.64 . . . . 1.29 111.71 -173.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.01 -148.78 6.67 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.909 -0.587 . . . . 0.17 112.376 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.7 146.2 27.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.849 -0.426 . . . . 0.18 109.849 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.25 133.38 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 107.267 -1.383 . . . . 0.17 107.267 171.073 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.32 106.54 5.24 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.325 0.491 . . . . 0.15 112.325 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.9 mp -86.57 122.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.799 -0.445 . . . . 0.23 109.799 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -112.54 120.79 42.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.833 -0.622 . . . . 1.36 111.288 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.68 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 29.4 mt-10 -117.29 72.6 0.84 Allowed 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 107.758 -1.201 . . . . 1.47 107.758 167.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.09 -24.27 9.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 122.956 1.36 . . . . 3.67 108.367 165.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.71 -168.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 112.039 -2.346 . . . . 0.9 111.953 -161.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.529 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 12.2 p -73.31 169.91 16.13 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 105.9 -1.889 . . . . 1.23 105.9 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 53.0 Cg_exo -34.44 126.01 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.583 2.189 . . . . 0.56 113.621 -145.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -38.4 131.42 1.21 Allowed 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 113.641 -1.618 . . . . 0.27 112.448 -167.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -117.1 145.61 43.66 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.436 -0.505 . . . . 0.69 110.002 -176.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.31 129.71 48.82 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.488 -0.93 . . . . 0.59 108.488 179.31 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.4 m -121.91 108.29 13.26 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 116.118 -0.492 . . . . 0.22 110.786 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 82.3 t90 -87.06 126.31 34.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.952 -1.129 . . . . 0.22 107.952 171.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.926 ' HB3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -137.48 127.62 26.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.569 0.699 . . . . 1.93 111.528 179.375 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.51 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.2 p -57.94 151.58 17.98 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.958 -1.474 . . . . 0.27 110.687 -175.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.8 p -57.18 -27.07 61.61 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.563 -0.744 . . . . 0.97 112.391 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.19 -29.15 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 2.57 110.83 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.82 5.12 58.73 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.025 -0.607 . . . . 1.07 112.23 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -82.93 -58.15 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.107 0.48 . . . . 2.64 111.561 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.69 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 9.4 tttt -88.29 119.57 28.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.599 . . . . 1.2 110.736 -175.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.926 HG12 ' HB3' ' A' ' 30' ' ' ARG . 24.4 m -128.41 145.41 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.004 -0.739 . . . . 0.83 109.004 174.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.69 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 18.3 m-70 -140.13 125.33 18.74 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.616 -0.883 . . . . 0.33 108.616 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 124.38 51.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.466 0.65 . . . . 0.32 112.403 -169.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 45' ' ' ILE . 29.6 t -113.09 102.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.83 -1.077 . . . . 0.23 110.396 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.5 118.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.479 -0.563 . . . . 0.63 109.479 175.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 1.9 mm? -53.02 -28.19 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.969 1.1 . . . . 1.24 113.969 -172.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 9.6 t -65.9 -11.38 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 1.08 111.032 -176.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -98.7 4.8 47.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.36 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 18.6 mm -100.26 137.25 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 121.406 0.622 . . . . 0.36 111.916 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.484 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 29.5 t70 -99.28 -46.14 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.157 -0.928 . . . . 0.7 110.767 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB3' HG13 ' A' ' 63' ' ' ILE . 48.2 tptt -137.28 171.18 14.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.155 0.502 . . . . 1.56 110.677 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -142.54 130.68 22.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.009 -0.737 . . . . 1.37 109.009 175.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.6 mm-40 -125.79 144.52 50.6 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.983 -0.553 . . . . 2.28 110.751 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.601 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -138.9 142.22 38.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.43 110.446 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.9 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 120.991 0.424 . . . . 0.55 111.779 -178.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm . . . . . 0 N--CA 1.442 -0.826 0 CA-C-O 121.707 0.765 . . . . 2.29 110.77 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.719 ' HB2' ' SD ' ' A' ' 97' ' ' MET . 1.8 ptp -84.91 119.33 25.23 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.597 -1.183 . . . . 1.13 110.55 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 6.8 tpp -133.59 148.44 51.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.022 -0.99 . . . . 0.63 110.927 -167.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -123.09 146.14 47.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.022 0.439 . . . . 0.48 110.241 170.347 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 93.7 mtt180 -119.55 143.73 47.45 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.702 -0.681 . . . . 2.37 111.09 172.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -109.55 103.06 11.87 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.69 -1.141 . . . . 0.7 107.998 174.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.3 mm -87.99 100.27 10.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.447 -0.575 . . . . 0.41 109.447 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -78.2 143.26 27.15 Favored Glycine 0 C--N 1.321 -0.265 0 C-N-CA 120.56 -0.828 . . . . 0.37 113.326 -173.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 15.8 mtpt . . . . . 0 CA--C 1.507 -0.688 0 CA-C-O 121.199 0.523 . . . . 1.16 109.856 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 107.363 -1.347 . . . . 2.01 107.363 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -120.02 161.65 20.57 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.072 0.767 . . . . 2.24 113.072 -169.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 26.8 m-70 -111.12 155.85 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.236 -1.024 . . . . 0.6 108.236 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttm -139.45 127.23 22.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.721 -0.392 . . . . 0.73 110.784 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.88 145.99 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.94 110.561 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.8 m -111.02 129.09 56.01 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.88 -0.6 . . . . 1.3 111.702 -174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m-85 -113.89 177.46 4.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.284 0.564 . . . . 0.32 110.386 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -134.62 22.61 3.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.236 -0.893 . . . . 1.17 110.348 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.402 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -145.64 127.92 15.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.939 -0.573 . . . . 1.62 110.064 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -62.67 -46.15 89.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.288 -0.869 . . . . 3.68 111.186 -175.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 29.2 m -57.05 -49.64 75.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.5 110.59 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -50.06 -58.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.27 111.661 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.719 ' SD ' ' HB2' ' A' ' 58' ' ' MET . 4.1 ptm -59.5 -42.44 92.17 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.84 111.668 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.661 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -65.89 -42.7 89.94 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.208 -0.905 . . . . 0.67 111.777 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.78 -48.56 58.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.724 -0.473 . . . . 1.55 109.724 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 mm -56.91 -37.42 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.22 110.164 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.617 ' CG ' HD11 ' A' ' 60' ' ' LEU . 4.0 mtmm -52.46 -65.08 0.62 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.394 0.616 . . . . 0.92 110.155 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.482 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 38.2 ttp -56.38 -45.68 80.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.307 -1.315 . . . . 1.41 111.9 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 107' ' ' ILE . 52.3 m -52.98 -52.38 58.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.219 178.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 53.8 mt -70.3 -51.92 26.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.467 0.651 . . . . 1.03 111.221 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -51.49 -46.61 63.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.272 -1.331 . . . . 1.72 111.742 -176.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.482 ' NE2' ' HG2' ' A' ' 102' ' ' MET . 49.0 mt-30 -62.13 -50.58 71.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.313 0.101 . . . . 2.21 111.075 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.1 mt -57.62 -42.48 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.102 -0.333 . . . . 0.39 110.102 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 67.6 mt -54.11 -55.94 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.4 110.835 172.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.1 m -60.7 -30.15 69.77 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.312 -0.858 . . . . 1.32 111.43 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.513 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 92.2 mtt180 -69.81 -24.98 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 2.87 111.123 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.7 m-85 . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 121.155 0.503 . . . . 2.75 110.129 175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.502 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.5 m80 . . . . . 0 N--CA 1.47 0.538 0 N-CA-C 113.76 1.022 . . . . 0.61 113.76 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.602 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.8 p -148.11 163.46 36.87 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.568 0.699 . . . . 0.28 112.524 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.04 150.91 7.11 Favored Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 114.312 -1.313 . . . . 0.15 110.337 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.64 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.1 119.15 11.55 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.311 0.577 . . . . 0.19 111.673 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.51 172.88 10.31 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.176 -0.92 . . . . 0.16 110.107 -177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -130.33 138.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 110.293 -0.262 . . . . 0.36 110.293 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.647 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 46.2 t80 -150.55 132.96 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 0.39 109.032 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.3 mt-10 64.86 36.07 8.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.278 0.561 . . . . 1.33 111.058 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 62.82 8.3 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.835 -1.075 . . . . 2.23 113.158 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.509 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.7 p -111.87 148.44 15.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.505 -0.924 . . . . 0.26 108.505 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.637 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 m -95.21 157.08 16.05 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.311 0.577 . . . . 1.29 111.595 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.528 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -172.63 -150.88 7.59 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.521 -0.763 . . . . 0.17 111.788 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.4 145.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.651 -0.5 . . . . 0.18 109.651 173.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.51 128.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 107.075 -1.454 . . . . 0.17 107.075 170.006 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.38 110.03 6.68 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.951 0.405 . . . . 0.15 111.511 -171.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -91.97 126.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.225 0.536 . . . . 0.23 110.522 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.33 127.15 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.29 -0.868 . . . . 1.36 110.842 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -122.08 72.16 1.03 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.509 -1.293 . . . . 1.47 107.509 166.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.73 -22.13 10.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.044 1.402 . . . . 3.67 108.338 167.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 23' ' ' SER . 16.1 m -108.0 -169.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 112.05 -2.341 . . . . 0.9 111.572 -161.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -72.55 170.19 14.11 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 105.348 -2.093 . . . . 1.23 105.348 171.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HB2' HG23 ' A' ' 41' ' ' VAL . 72.3 Cg_exo -34.02 127.08 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.632 2.221 . . . . 0.56 113.736 -147.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.12 138.05 0.47 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 113.474 -1.694 . . . . 0.27 112.575 -167.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 2.8 mt-10 -122.71 148.48 45.26 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.251 0.548 . . . . 0.69 110.35 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 HD11 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -103.12 126.77 50.45 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.275 -0.875 . . . . 0.59 108.759 177.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.3 m -115.96 108.09 15.81 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.794 -0.362 . . . . 0.22 111.178 -172.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CH2' HG13 ' A' ' 12' ' ' VAL . 84.4 t90 -88.0 120.93 29.83 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.463 -0.94 . . . . 0.22 108.463 170.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.4 ptt180 -132.83 124.03 27.22 Favored 'General case' 0 N--CA 1.427 -1.586 0 C-N-CA 119.2 -1.0 . . . . 1.93 111.614 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.2 p -57.45 147.89 25.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.233 -1.803 . . . . 0.27 109.995 -174.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.528 HG23 ' HA2' ' A' ' 14' ' ' GLY . 21.8 p -55.53 -25.14 35.86 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.886 0.742 . . . . 0.97 112.349 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.61 -25.24 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 2.57 111.093 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.78 4.81 61.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.872 -0.68 . . . . 1.07 112.303 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.33 -56.84 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.339 . . . . 2.64 111.378 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 11.1 mttp -86.98 136.52 32.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.433 -0.349 . . . . 1.2 111.404 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 30' ' ' ARG . 7.9 t -146.3 117.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.497 -0.927 . . . . 0.83 108.497 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -122.17 118.93 29.83 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.356 -0.609 . . . . 0.33 109.356 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -109.23 128.5 55.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.644 0.735 . . . . 0.32 111.889 -171.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 31.9 t -116.7 101.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.861 -1.063 . . . . 0.23 110.683 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.28 114.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.312 -0.625 . . . . 0.63 109.312 175.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 42' ' ' LEU . 1.2 mm? -52.33 -23.28 5.58 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.88 1.437 . . . . 1.24 114.88 -172.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -69.18 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.308 0.504 . . . . 1.08 112.016 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.9 p -94.05 -2.22 53.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.505 0.669 . . . . 0.36 109.763 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.58 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 23.1 mm -100.18 146.16 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 CA-C-N 115.059 -0.973 . . . . 0.36 111.4 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -100.57 -45.97 5.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.21 -0.905 . . . . 0.7 110.397 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.8 tmtp? -144.98 174.49 10.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 1.56 110.392 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.64 155.23 43.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.819 -0.628 . . . . 1.37 109.69 167.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -148.07 168.45 22.35 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.576 -0.738 . . . . 2.28 110.071 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.614 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -144.8 166.97 23.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.164 -0.471 . . . . 0.43 110.06 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p . . . . . 0 C--N 1.324 -0.532 0 CA-C-O 120.599 0.237 . . . . 0.55 110.721 174.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.274 0.559 . . . . 2.29 110.372 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.505 ' HG2' ' HG3' ' A' ' 97' ' ' MET . 35.1 mtm -124.64 112.97 17.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.678 -0.692 . . . . 1.13 111.166 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HB3' HG23 ' A' ' 51' ' ' THR . 13.8 tpp -148.79 136.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.337 -0.847 . . . . 0.63 110.266 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.68 148.85 32.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.405 -0.591 . . . . 0.48 109.405 173.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -117.2 147.34 42.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.196 0.522 . . . . 2.37 110.697 174.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 2.3 mm? -113.69 104.02 11.81 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.757 -1.201 . . . . 0.7 107.757 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.603 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.7 mm -87.92 97.26 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 N-CA-C 108.386 -0.968 . . . . 0.41 108.386 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.58 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -75.76 163.8 53.66 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.813 -0.708 . . . . 0.37 111.737 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.3 mttt . . . . . 0 N--CA 1.44 -0.942 0 CA-C-O 121.851 0.834 . . . . 1.16 110.825 179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 . . . . . 0 C--O 1.22 -0.458 0 N-CA-C 109.648 -0.501 . . . . 2.01 109.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.7 mtm180 -104.31 139.51 39.19 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 113.415 0.894 . . . . 2.24 113.415 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 46.3 m-70 -116.41 145.85 42.95 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.106 -1.407 . . . . 0.6 107.343 171.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -131.34 129.31 41.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.248 -0.581 . . . . 0.73 110.919 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 40.5 m-85 -128.03 138.04 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.562 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.1 t -105.86 135.45 47.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.357 -0.238 . . . . 1.3 110.357 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 49.8 m-85 -112.92 177.26 4.69 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.417 -0.586 . . . . 0.32 109.417 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -133.49 33.72 3.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.644 -0.707 . . . . 1.17 110.027 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -156.82 134.11 10.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.533 -0.758 . . . . 1.62 110.195 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -70.84 -40.2 72.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.666 -0.697 . . . . 3.68 111.54 -173.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.1 m -65.04 -46.24 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.336 -0.393 . . . . 0.5 110.523 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 100' ' ' ILE . 45.3 t -48.42 -55.11 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.27 110.493 172.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 58' ' ' MET . 47.2 mmm -43.9 -57.19 3.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 123.546 0.529 . . . . 0.84 112.171 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.2 t70 -67.51 -40.98 85.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.524 . . . . 0.67 111.764 -174.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -69.57 -45.81 67.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.261 -0.427 . . . . 1.55 110.288 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -61.17 -44.77 98.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.286 -0.635 . . . . 0.22 109.286 173.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.614 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 40.8 mtmt -48.68 -59.24 3.7 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.92 110.439 173.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 mtm -58.48 -48.82 79.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 1.41 112.079 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 3' ' ' HIS . 94.2 m -55.12 -52.51 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.27 111.193 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.7 mp -67.43 -49.84 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.032 -0.729 . . . . 1.03 109.032 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -52.47 -49.69 64.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.177 -0.92 . . . . 1.72 112.362 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.0 mt-30 -61.46 -49.5 76.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.631 0.253 . . . . 2.21 111.094 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 25' ' ' ALA . 82.9 mt -62.78 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 0.39 111.17 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 48' ' ' LEU . 72.4 mt -60.19 -45.26 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.4 110.31 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -58.43 -33.92 70.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 1.32 110.883 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.522 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.6 mtt180 -64.96 -36.89 85.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 2.87 111.163 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.776 0.798 . . . . 2.75 109.474 179.656 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.414 ' HA ' HG21 ' A' ' 103' ' ' THR . 77.8 m80 . . . . . 0 C--O 1.223 -0.315 0 N-CA-C 111.41 0.152 . . . . 0.61 111.41 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.9 p -159.63 165.32 32.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.395 0.617 . . . . 0.28 111.836 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.5 148.7 6.2 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 114.699 -1.137 . . . . 0.15 110.695 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.66 116.16 7.29 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.461 0.648 . . . . 0.19 111.445 -173.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.82 174.53 8.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.793 -1.094 . . . . 0.16 110.194 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -130.89 138.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 110.064 -0.347 . . . . 0.36 110.064 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.654 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.2 t80 -148.96 128.98 13.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.931 -0.766 . . . . 0.39 108.931 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 65.46 41.58 4.15 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.127 0.489 . . . . 1.33 110.994 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 66.73 -8.23 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.064 -0.971 . . . . 2.23 113.336 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -101.49 147.9 7.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.978 0.418 . . . . 0.26 109.879 177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.642 ' HA ' HG13 ' A' ' 8' ' ' ILE . 17.5 t -98.13 154.47 17.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.514 -0.766 . . . . 1.29 111.698 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.82 -145.85 5.49 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.748 -1.115 . . . . 0.17 111.621 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.2 145.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.807 -0.442 . . . . 0.18 109.807 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.21 131.35 47.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 107.093 -1.447 . . . . 0.17 107.093 169.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 121.71 15.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.572 0.225 . . . . 0.15 111.267 -171.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 104' ' ' LEU . 2.7 mp -97.11 124.66 50.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.999 0.904 . . . . 0.23 111.92 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.415 ' ND2' HG21 ' A' ' 22' ' ' VAL . 65.9 t30 -94.56 146.03 24.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.751 -1.568 . . . . 1.36 109.658 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 22' ' ' VAL . 36.8 mt-10 -119.8 -146.58 0.38 Allowed 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 105.966 -1.864 . . . . 1.47 105.966 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -37.53 29.82 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 131.248 3.819 . . . . 3.67 118.397 -143.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.6 m -94.99 -168.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 113.762 -1.563 . . . . 0.9 106.855 171.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.3 m -70.69 159.13 86.21 Favored Pre-proline 0 C--N 1.308 -1.206 0 N-CA-C 105.585 -2.006 . . . . 1.23 105.585 -177.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 69.6 Cg_exo -34.26 125.47 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.055 . . . . 0.56 113.928 -144.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -33.85 127.53 0.39 Allowed 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.497 1.748 . . . . 0.27 111.523 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -114.49 140.58 48.61 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.427 -0.509 . . . . 0.69 110.054 -170.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.32 129.31 48.72 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.94 -0.763 . . . . 0.59 108.94 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.7 m -119.79 107.74 13.55 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.027 -0.533 . . . . 0.22 111.058 -172.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.9 t90 -89.45 124.96 34.96 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.177 -1.046 . . . . 0.22 108.177 169.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 ptt180 -133.93 135.19 43.41 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.204 0.526 . . . . 1.93 110.484 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.5 p -65.16 161.65 18.7 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.835 -1.075 . . . . 0.27 110.714 -172.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -60.9 -18.66 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.615 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.12 -29.31 21.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.153 0.501 . . . . 2.57 110.68 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.04 60.42 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.886 -0.673 . . . . 1.07 112.562 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.85 -56.39 9.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 2.64 110.655 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 6.2 mttt -79.64 120.28 23.75 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.761 -0.654 . . . . 1.2 110.557 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.852 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 t -137.51 118.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.666 -0.864 . . . . 0.83 108.666 178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 17.0 m-70 -121.84 123.39 41.66 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.383 -0.599 . . . . 0.33 109.383 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.8 117.58 32.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.674 0.749 . . . . 0.32 111.933 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.4 t -100.48 100.53 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.753 -1.112 . . . . 0.23 109.627 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.12 115.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.571 -1.27 . . . . 0.63 107.571 174.444 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 49.8 mt -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 114.364 1.246 . . . . 1.24 114.364 -160.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.536 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 26.9 m -63.37 5.7 0.16 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.377 0.99 . . . . 1.08 112.924 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -102.08 -1.33 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 0.36 110.121 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.2 mm -95.14 144.67 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.685 -0.689 . . . . 0.36 110.635 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.545 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.5 t70 -108.07 -41.36 4.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.727 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.569 ' HB3' HG13 ' A' ' 63' ' ' ILE . 3.9 mmtp -133.98 174.62 10.28 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.728 0.775 . . . . 1.56 111.682 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -146.44 134.48 21.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.813 -1.085 . . . . 1.37 108.567 176.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.7 mm-40 -131.73 147.94 52.54 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.239 -0.437 . . . . 2.28 110.24 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -135.36 153.95 51.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.441 -0.345 . . . . 0.43 110.11 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p . . . . . 0 C--O 1.236 0.389 0 CA-C-N 116.453 -0.339 . . . . 0.55 111.503 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 32.5 mtmm . . . . . 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 2.29 110.272 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -129.93 115.56 17.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.694 -0.685 . . . . 1.13 111.026 -169.33 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -147.2 140.9 25.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.63 111.023 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD23 ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -116.43 149.27 39.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.3 -0.409 . . . . 0.48 110.112 171.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 98.1 mtt180 -120.67 133.53 55.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.953 -0.567 . . . . 2.37 111.222 173.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -97.54 102.16 13.86 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.824 -1.08 . . . . 0.7 109.21 169.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 47' ' ' LYS . 12.8 mm -87.02 100.7 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 118.445 0.566 . . . . 0.41 110.068 -174.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -60.18 169.8 7.49 Favored Glycine 0 N--CA 1.447 -0.619 0 O-C-N 123.565 0.54 . . . . 0.37 112.379 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 68.4 mttt . . . . . 0 C--N 1.314 -0.957 0 N-CA-C 114.45 1.278 . . . . 1.16 114.45 -170.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 CA--C 1.509 -0.619 0 N-CA-C 109.064 -0.717 . . . . 2.01 109.064 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.761 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.7 ptt180 -107.04 144.39 33.76 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 119.63 -0.828 . . . . 2.24 111.502 -173.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 85.2 m-70 -111.96 129.71 56.09 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.381 -1.281 . . . . 0.6 108.228 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 23.1 ttm -116.61 126.84 53.83 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.653 -0.419 . . . . 0.73 111.213 -173.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 14.5 m-85 -128.19 136.38 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.94 110.58 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 6.6 t -99.03 135.88 39.8 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.481 -0.327 . . . . 1.3 110.675 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.769 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.4 m-85 -112.71 178.06 4.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.11 0.481 . . . . 0.32 110.188 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.08 26.56 5.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.824 . . . . 1.17 110.312 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.566 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.2 t-20 -158.86 131.52 6.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.022 -0.535 . . . . 1.62 109.831 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' MET . 9.7 mpt_? -72.74 -33.74 66.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.129 -0.487 . . . . 3.68 110.956 -174.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.566 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 94.2 m -61.75 -50.55 71.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.5 109.966 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -48.63 -52.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.382 -0.826 . . . . 0.27 110.89 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 5.1 mtp -43.49 -57.78 2.93 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 112.485 0.55 . . . . 0.84 112.485 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.62 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.3 t70 -65.92 -38.86 89.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.246 -0.434 . . . . 0.67 111.239 -174.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -52.42 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.723 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.3 mm -60.06 -41.17 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.22 109.571 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 17.9 mtmt -49.85 -64.46 0.8 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.422 0.63 . . . . 0.92 110.608 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.5 ttm -58.73 -51.01 71.78 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.654 -1.157 . . . . 1.41 111.938 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 3' ' ' HIS . 68.0 m -48.58 -50.31 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.514 0.508 . . . . 0.27 111.615 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.7 mp -73.95 -50.54 19.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.548 0.69 . . . . 1.03 109.368 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.668 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -57.74 -42.7 84.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.414 -1.266 . . . . 1.72 112.076 -176.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.91 -46.0 86.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.309 0.1 . . . . 2.21 111.177 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' A' ' 25' ' ' ALA . 91.4 mt -57.23 -45.55 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 0.39 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.838 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 65.0 mt -56.25 -55.15 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 115.492 -0.776 . . . . 0.4 110.779 175.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.8 m -59.45 -23.73 62.95 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.716 -0.675 . . . . 1.32 111.061 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -75.66 -35.79 60.31 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 116.106 -0.497 . . . . 2.87 110.794 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.838 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 . . . . . 0 N--CA 1.463 0.225 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.29 173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.476 ' HA ' HG21 ' A' ' 103' ' ' THR . 43.1 m80 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 113.163 0.801 . . . . 0.61 113.163 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.9 p -157.24 165.97 34.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.306 0.574 . . . . 0.28 111.779 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.56 149.31 6.22 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.578 -1.192 . . . . 0.15 110.501 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.53 118.27 9.9 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.239 0.542 . . . . 0.19 111.719 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.79 172.12 10.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.145 -0.934 . . . . 0.16 110.448 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.54 135.04 59.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.392 -0.596 . . . . 0.36 109.392 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -140.68 119.11 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.39 110.586 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 52.53 58.19 5.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.375 -0.829 . . . . 1.33 112.131 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 4.1 mptt 70.36 14.57 7.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.328 -1.305 . . . . 2.23 113.731 170.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -132.76 148.49 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 0.26 110.274 171.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.641 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.5 t -100.84 154.57 18.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.709 -0.678 . . . . 1.29 112.1 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.98 -145.23 5.62 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.039 -0.982 . . . . 0.17 112.132 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.74 147.2 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.231 0.612 . . . . 0.18 109.736 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.87 131.87 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.4 -1.333 . . . . 0.17 107.4 169.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.88 119.15 12.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.422 0.153 . . . . 0.15 111.264 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.03 128.09 46.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.317 1.056 . . . . 0.23 112.746 -173.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.442 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 5.6 m-20 -89.66 150.17 22.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.239 -1.801 . . . . 1.36 110.645 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' VAL . 41.2 mt-10 -117.08 -133.07 0.33 Allowed 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 126.838 2.055 . . . . 1.47 108.261 -173.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.86 24.21 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 129.562 3.145 . . . . 3.67 116.34 -167.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.3 m -96.11 -167.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.672 0 N-CA-C 105.866 -1.902 . . . . 0.9 105.866 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -70.49 152.76 95.36 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 106.039 -1.837 . . . . 1.23 106.039 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.4 Cg_exo -34.5 126.09 0.2 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.78 2.32 . . . . 0.56 113.762 -144.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -31.3 120.89 0.24 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 125.371 1.67 . . . . 0.27 111.975 -165.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -115.57 140.9 48.74 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.773 -0.648 . . . . 0.69 110.554 -168.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.21 126.62 47.95 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.342 -0.614 . . . . 0.59 109.342 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.447 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.7 m -114.92 107.35 15.27 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 116.069 -0.514 . . . . 0.22 111.047 -172.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.556 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 71.7 t90 -89.88 122.83 33.29 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.118 . . . . 0.22 107.98 168.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.7 ptt180 -130.3 138.67 50.58 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.94 -0.573 . . . . 1.93 109.615 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.515 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.1 p -70.2 161.18 30.75 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.375 -0.83 . . . . 0.27 110.663 -170.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -55.07 -37.71 67.12 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.923 0.392 . . . . 0.97 111.441 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.56 -26.35 63.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.954 -0.566 . . . . 2.57 111.118 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.58 -0.12 67.56 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.977 -0.63 . . . . 1.07 111.695 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.83 -53.39 18.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 2.64 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 11.0 mttp -85.9 131.84 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 1.2 110.486 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.9 t -143.74 117.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.678 -0.86 . . . . 0.83 108.678 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -123.85 127.28 47.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.276 -0.638 . . . . 0.33 109.276 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -115.85 122.63 45.95 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.759 0.79 . . . . 0.32 112.017 -172.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 45' ' ' ILE . 27.7 t -103.75 100.48 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.638 -1.164 . . . . 0.23 109.947 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.32 116.32 9.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.1 -0.704 . . . . 0.63 109.1 175.21 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 25' ' ' ALA . 3.0 mm? -51.29 -26.66 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.804 1.039 . . . . 1.24 113.804 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.5 t -61.98 -17.64 57.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.771 0.32 . . . . 1.08 111.234 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -96.09 3.29 53.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.36 110.779 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.7 mm -98.57 146.8 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.933 -0.576 . . . . 0.36 111.217 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -109.64 -50.47 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.523 -0.762 . . . . 0.7 110.489 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.65 ' HD3' ' N ' ' A' ' 48' ' ' LEU . 3.2 tmtp? -135.21 159.01 42.89 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.049 -0.722 . . . . 1.56 109.049 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -127.22 138.57 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.914 -0.491 . . . . 1.37 110.229 171.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 66.8 mt-30 -127.2 148.16 50.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 2.28 110.36 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.94 148.71 45.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.995 -0.548 . . . . 0.43 109.815 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.55 112.221 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt . . . . . 0 N--CA 1.447 -0.582 0 CA-C-O 120.979 0.419 . . . . 2.29 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.1 mpp? -71.74 118.2 14.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.85 -0.614 . . . . 1.13 110.701 178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -152.11 139.95 19.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.63 111.867 -172.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.57 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.5 mm? -125.1 146.65 49.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.167 -0.469 . . . . 0.48 109.865 170.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.559 ' NH2' ' HD2' ' A' ' 86' ' ' ARG . 58.2 mtp180 -120.49 141.74 49.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.432 0.634 . . . . 2.37 110.895 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.0 mm? -106.93 105.28 15.23 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.29 -1.374 . . . . 0.7 107.29 173.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -87.54 97.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.208 -1.034 . . . . 0.41 108.208 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -74.07 158.74 52.26 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.915 -0.584 . . . . 0.37 112.212 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mttt . . . . . 0 N--CA 1.437 -1.104 0 CA-C-O 122.313 1.054 . . . . 1.16 112.118 -177.266 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 109.473 -0.566 . . . . 2.01 109.473 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD2' ' NH2' ' A' ' 61' ' ' ARG . 6.8 mtm180 -105.61 141.85 36.36 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.341 0.867 . . . . 2.24 113.341 -171.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -117.87 114.96 24.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.739 -1.208 . . . . 0.6 107.739 172.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.9 ttm -107.86 127.63 53.9 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.324 -0.551 . . . . 0.73 110.612 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 28.5 m-85 -119.55 136.87 54.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.94 110.381 -178.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.609 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 50.9 m -100.44 126.36 46.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.682 -0.69 . . . . 1.3 111.199 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.9 m-85 -112.17 178.12 4.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.305 0.574 . . . . 0.32 109.99 175.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -134.58 17.3 3.62 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.228 -0.896 . . . . 1.17 110.956 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -141.63 133.44 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 1.62 110.188 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.96 -39.6 72.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.751 -0.659 . . . . 3.68 111.437 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.7 m -62.61 -49.01 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.555 -0.293 . . . . 0.5 110.327 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 91' ' ' PHE . 52.6 t -47.11 -55.96 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.27 110.714 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 9.9 mtp -45.21 -64.51 0.7 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 123.41 0.444 . . . . 0.84 112.052 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.49 -40.87 72.25 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.515 0.509 . . . . 0.67 112.001 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.61 -53.42 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 1.55 110.266 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 104' ' ' LEU . 45.7 mm -55.45 -49.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.588 -0.523 . . . . 0.22 109.588 174.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.57 ' CG ' HD11 ' A' ' 60' ' ' LEU . 29.0 mtpt -41.68 -63.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.839 -0.619 . . . . 0.92 111.234 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mtm -62.92 -46.79 86.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.656 -1.156 . . . . 1.41 112.053 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.476 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.8 m -50.98 -48.95 61.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.139 0.495 . . . . 0.27 111.533 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -75.33 -50.24 16.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.391 -0.822 . . . . 1.03 109.469 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 9.9 tm0? -53.6 -46.93 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.711 -1.131 . . . . 1.72 111.67 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 23.5 mm-40 -61.52 -46.27 90.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.679 -0.237 . . . . 2.21 111.469 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.2 mt -62.01 -41.31 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 110.066 -0.346 . . . . 0.39 110.066 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 92.4 mt -58.08 -51.18 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.411 173.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.0 t -57.41 -32.5 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 1.32 110.722 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.7 mtt180 -67.91 -29.28 68.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.488 -0.324 . . . . 2.87 111.461 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 2.75 109.624 175.627 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' HG21 ' A' ' 103' ' ' THR . 50.3 m80 . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 111.437 0.162 . . . . 0.61 111.437 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.3 p -148.09 166.24 28.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.414 0.626 . . . . 0.28 112.057 -176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.46 153.41 8.22 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 114.56 -1.2 . . . . 0.15 110.514 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.635 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.24 114.89 6.33 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.372 0.606 . . . . 0.19 111.963 -172.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.833 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.22 175.57 6.59 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.16 110.165 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.28 137.2 56.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 110.377 -0.231 . . . . 0.36 110.377 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.499 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 48.1 t80 -150.32 133.55 16.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.842 -0.799 . . . . 0.39 108.842 -178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.499 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 39.6 mt-10 65.03 33.83 9.33 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.168 0.508 . . . . 1.33 111.029 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.89 -5.74 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.837 -1.074 . . . . 2.23 112.816 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.497 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -96.82 148.28 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.5 m -96.26 153.59 17.72 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.876 -0.602 . . . . 1.29 111.498 -176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -171.07 -146.9 5.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.709 -0.678 . . . . 0.17 111.898 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.24 144.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.566 -0.531 . . . . 0.18 109.566 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.33 133.34 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.16 -1.422 . . . . 0.17 107.16 171.067 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.91 107.93 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.846 0.355 . . . . 0.15 111.879 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.621 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -90.1 126.0 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.106 0.479 . . . . 0.23 110.245 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -112.44 127.68 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.611 -0.722 . . . . 1.36 111.39 -173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 33.0 mt-10 -121.42 72.68 1.01 Allowed 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.038 -1.097 . . . . 1.47 108.038 167.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.54 -25.1 9.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 123.068 1.413 . . . . 3.67 108.502 165.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.27 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 112.049 -2.341 . . . . 0.9 112.374 -161.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -73.51 169.35 18.7 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 105.79 -1.93 . . . . 1.23 105.79 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.0 Cg_exo -34.4 125.93 0.19 Allowed 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.354 2.036 . . . . 0.56 113.806 -144.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -37.63 128.95 1.12 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.805 -1.543 . . . . 0.27 112.375 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.06 148.96 39.67 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.23 0.538 . . . . 0.69 110.147 -176.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.37 130.6 50.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.276 -0.875 . . . . 0.59 109.109 -178.623 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.0 m -122.35 107.07 11.66 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.262 -0.426 . . . . 0.22 110.855 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.64 130.46 35.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.434 -0.95 . . . . 0.22 108.434 171.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.827 ' HB3' HG22 ' A' ' 37' ' ' VAL . 7.0 ptt180 -140.6 136.21 32.55 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.045 0.45 . . . . 1.93 110.475 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.539 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 90.1 p -67.14 156.53 35.95 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.304 -0.862 . . . . 0.27 110.799 -171.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' HA2' ' A' ' 14' ' ' GLY . 39.3 p -61.28 -23.95 66.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.142 0.496 . . . . 0.97 110.54 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.45 -0.796 . . . . 2.57 110.271 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.57 12.62 60.79 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.542 -0.754 . . . . 1.07 111.955 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -58.91 1.87 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.842 0.354 . . . . 2.64 111.376 -176.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.659 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 12.4 tttp -72.46 119.72 17.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.134 -0.485 . . . . 1.2 109.932 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.827 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.1 t -135.14 128.54 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.051 -0.722 . . . . 0.83 109.051 -178.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.659 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.2 m-70 -128.42 134.12 48.72 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.241 -0.651 . . . . 0.33 109.241 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.29 125.8 48.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.285 0.564 . . . . 0.32 111.572 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.7 102.84 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.094 0.958 . . . . 0.23 110.705 -176.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -67.71 117.16 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.466 0.65 . . . . 0.63 109.562 175.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.72 -14.61 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.075 -0.966 . . . . 1.24 112.682 -169.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 35.0 t -65.9 -17.26 64.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.672 0.272 . . . . 1.08 110.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -97.64 4.59 50.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.797 0.332 . . . . 0.36 110.613 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 8.0 mm -104.86 136.87 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.496 -0.32 . . . . 0.36 110.282 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -92.34 -42.59 9.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.91 0.386 . . . . 0.7 110.844 -177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HB3' HG13 ' A' ' 63' ' ' ILE . 20.7 tptm -145.19 173.86 11.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.338 0.589 . . . . 1.56 110.278 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.48 154.31 45.46 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.732 -0.84 . . . . 1.37 108.732 168.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.5 mm-40 -143.87 149.36 36.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.577 -0.738 . . . . 2.28 110.079 -170.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -125.88 163.49 22.83 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.894 -0.323 . . . . 0.43 110.467 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' MET . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 112.027 0.38 . . . . 0.55 112.027 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.381 0.61 . . . . 2.29 110.617 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 12.4 mtm -96.75 122.41 39.67 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.355 -0.839 . . . . 1.13 110.845 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.574 ' HB3' HG23 ' A' ' 51' ' ' THR . 19.0 tpp -151.37 141.5 22.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.63 110.868 -172.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.7 mm? -119.5 142.73 48.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.48 109.326 170.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.6 mtm180 -114.59 146.04 41.27 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.695 -0.684 . . . . 2.37 110.195 172.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -115.15 113.57 24.14 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.147 -0.933 . . . . 0.7 108.828 174.174 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.677 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.4 mm -86.79 97.33 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 107.72 -1.215 . . . . 0.41 107.72 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -69.82 146.13 42.85 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.165 -1.017 . . . . 0.37 112.307 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mttt . . . . . 0 N--CA 1.441 -0.906 0 CA-C-O 121.181 0.515 . . . . 1.16 110.331 177.806 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 121.298 0.571 . . . . 2.01 110.031 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 63' ' ' ILE . 14.6 mtm180 -102.72 136.0 43.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.63 0.728 . . . . 2.24 112.745 -173.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 89.1 m-70 -108.35 124.84 50.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.546 -1.206 . . . . 0.6 108.429 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.5 ttm -118.06 129.62 55.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.789 -0.365 . . . . 0.73 110.868 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -130.56 137.93 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.94 110.142 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.1 t -100.96 134.17 44.35 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.623 0.249 . . . . 1.3 111.299 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.833 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 89.7 m-85 -113.1 177.39 4.65 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.631 -0.507 . . . . 0.32 109.631 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.46 34.5 2.05 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.677 -0.692 . . . . 1.17 110.503 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -154.67 131.04 10.45 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.46 -0.791 . . . . 1.62 109.867 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -68.1 -36.87 80.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.494 -0.775 . . . . 3.68 111.991 -173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 m -63.8 -48.46 76.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.5 110.36 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 100' ' ' ILE . 54.3 t -49.4 -53.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.27 110.88 174.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.49 ' CE ' ' HB1' ' A' ' 50' ' ' ALA . 10.6 mtp -47.54 -54.05 12.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.015 0.376 . . . . 0.84 112.015 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 36.2 t70 -65.67 -38.53 89.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 0.67 111.418 -175.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.1 -51.48 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.55 110.742 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.768 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.8 mm -59.73 -40.98 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.676 -0.49 . . . . 0.22 109.676 175.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 28.4 mtmt -51.3 -63.41 1.14 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.92 110.284 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mtm -58.73 -44.88 90.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.051 -0.977 . . . . 1.41 111.98 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.433 HG21 ' HA ' ' A' ' 3' ' ' HIS . 65.9 m -54.31 -54.37 41.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.27 110.878 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.6 mp -69.97 -49.31 53.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.3 -0.63 . . . . 1.03 109.3 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -47.9 -56.21 8.08 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.297 -0.865 . . . . 1.72 112.553 -178.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.29 -46.13 78.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.55 0.204 . . . . 2.21 111.55 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 25' ' ' ALA . 77.3 mt -60.98 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.39 110.591 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.1 mt -55.39 -52.19 48.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.4 110.678 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.8 m -62.91 -19.91 64.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.227 -0.442 . . . . 1.32 111.663 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -29.36 27.81 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.156 0.503 . . . . 2.87 109.953 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.495 0.664 . . . . 2.75 109.713 173.201 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.458 ' HA ' HG21 ' A' ' 103' ' ' THR . 37.1 m80 . . . . . 0 C--O 1.221 -0.438 0 N-CA-C 111.636 0.236 . . . . 0.61 111.636 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.606 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.6 p -148.51 162.59 39.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.736 0.779 . . . . 0.28 112.956 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.21 153.84 8.69 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 113.88 -1.509 . . . . 0.15 110.16 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.5 119.2 11.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.327 0.584 . . . . 0.19 112.187 -171.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.76 177.13 7.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.842 -1.072 . . . . 0.16 109.962 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.646 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.11 137.27 56.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 110.307 -0.257 . . . . 0.36 110.307 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.695 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 54.5 t80 -150.44 134.46 16.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.628 -0.879 . . . . 0.39 108.628 -178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.695 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.5 mt-10 65.02 32.42 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.069 0.461 . . . . 1.33 110.919 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.5 mmtm 68.81 -8.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.045 -0.98 . . . . 2.23 112.895 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.538 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -95.5 148.37 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.742 -0.836 . . . . 0.26 108.742 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.646 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.4 m -99.34 151.91 20.54 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.862 -0.608 . . . . 1.29 111.521 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.578 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.34 -143.79 4.55 Favored Glycine 0 CA--C 1.5 -0.845 0 C-N-CA 120.883 -0.675 . . . . 0.17 112.824 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -124.54 143.36 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 110.144 -0.317 . . . . 0.18 110.144 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.46 131.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.048 -1.464 . . . . 0.17 107.048 172.376 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.79 110.71 6.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.126 0.417 . . . . 0.15 112.126 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -93.22 129.39 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.065 0.46 . . . . 0.23 110.391 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -114.84 124.35 51.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.413 -0.812 . . . . 1.36 110.194 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 24.1 mt-10 -120.52 72.5 0.96 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.067 -1.086 . . . . 1.47 108.067 168.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.34 -23.77 10.16 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 123.315 1.531 . . . . 3.67 108.423 166.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.0 -170.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 111.709 -2.496 . . . . 0.9 112.128 -161.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.46 169.81 16.7 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 105.752 -1.944 . . . . 1.23 105.752 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.614 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 76.2 Cg_exo -32.84 125.01 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.627 2.218 . . . . 0.56 113.52 -145.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.564 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.0 132.33 0.52 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 125.512 1.757 . . . . 0.27 112.237 -169.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.08 144.28 43.88 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.241 -0.584 . . . . 0.69 110.112 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -102.91 127.44 50.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.083 -0.962 . . . . 0.59 108.69 179.107 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.5 m -117.34 106.75 13.58 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.958 -0.565 . . . . 0.22 110.453 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.61 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 73.1 t90 -89.78 120.53 31.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.931 -1.137 . . . . 0.22 107.931 170.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.745 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 24.4 ptt85 -129.45 128.86 43.8 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.96 -0.563 . . . . 1.93 109.871 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 53.9 p -61.2 145.04 52.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.262 0.553 . . . . 0.27 111.054 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.488 ' H ' ' HA2' ' A' ' 14' ' ' GLY . 14.8 t -80.26 -7.53 59.06 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.603 -1.258 . . . . 0.97 107.603 172.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.17 22.25 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.074 -1.876 . . . . 2.57 111.4 -176.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.9 23.16 5.41 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.263 -0.97 . . . . 1.07 113.531 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 67.83 57.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.801 0.81 . . . . 2.64 112.317 166.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.745 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.3 tttt -82.25 117.14 22.14 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.533 -1.284 . . . . 1.2 107.533 166.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CB ' ' A' ' 30' ' ' ARG . 22.4 t -115.72 130.71 69.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.229 0.538 . . . . 0.83 111.982 -164.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -133.02 122.52 24.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.568 -0.901 . . . . 0.33 108.568 177.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.89 124.47 52.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.522 0.677 . . . . 0.32 111.866 -172.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -105.59 101.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.744 -1.116 . . . . 0.23 109.914 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.5 115.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.327 -0.99 . . . . 0.63 108.327 172.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 70.0 mt -61.44 -23.41 65.83 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.607 -1.179 . . . . 1.24 112.775 -167.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.614 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 22.7 t -54.28 -17.09 2.56 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.08 -0.388 . . . . 1.08 111.548 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -93.64 1.77 56.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 120.678 0.275 . . . . 0.36 111.281 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.9 mm -99.63 141.48 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.922 0.391 . . . . 0.36 111.094 -177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 24.1 t70 -103.17 -48.46 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.7 110.549 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' A' ' 48' ' ' LEU . 19.6 tptm -134.52 172.97 12.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.165 0.507 . . . . 1.56 110.134 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.55 142.34 33.53 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.845 -0.798 . . . . 1.37 108.845 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.0 mt-30 -136.34 160.47 38.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.626 -0.261 . . . . 2.28 110.396 -177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.652 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -149.33 166.18 29.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.156 -0.474 . . . . 0.43 110.319 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 59' ' ' MET . 2.6 p . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 120.955 0.407 . . . . 0.55 111.415 177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 57' ' ' LYS . 4.2 ptpp? . . . . . 0 N--CA 1.445 -0.681 0 CA-C-O 121.453 0.644 . . . . 2.29 111.503 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -94.78 112.54 24.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.273 -0.876 . . . . 1.13 109.323 -177.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 12.0 tpp -131.71 135.71 47.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.415 -0.357 . . . . 0.63 110.882 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -117.14 148.15 41.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.917 -0.583 . . . . 0.48 109.478 173.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 96.1 mtt180 -121.23 147.86 45.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.45 0.643 . . . . 2.37 111.347 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -111.1 107.13 16.4 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 107.512 -1.292 . . . . 0.7 107.512 170.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.518 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.49 98.13 7.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.304 -0.999 . . . . 0.41 108.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -73.93 141.13 28.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.177 -1.011 . . . . 0.37 112.443 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 18.2 mttt . . . . . 0 CA--C 1.504 -0.81 0 N-CA-C 107.696 -1.224 . . . . 1.16 107.696 174.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 . . . . . 0 N--CA 1.447 -0.604 0 N-CA-C 107.347 -1.353 . . . . 2.01 107.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HG2' HD13 ' A' ' 63' ' ' ILE . 20.0 mtm180 -100.8 146.79 26.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.756 0.789 . . . . 2.24 112.541 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -115.55 136.88 52.63 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.296 . . . . 0.6 107.999 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -125.61 133.44 52.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.19 -0.604 . . . . 0.73 111.258 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE1' HD23 ' A' ' 62' ' ' LEU . 20.6 m-85 -128.57 139.09 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.94 109.996 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.6 t -110.91 136.57 49.74 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.581 -0.281 . . . . 1.3 110.452 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 41.9 m-85 -112.35 178.76 4.19 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.624 -0.88 . . . . 0.32 108.624 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.497 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 21.0 p30 -130.69 33.78 4.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.357 0.598 . . . . 1.17 110.207 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.466 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 24.6 t-20 -153.72 123.45 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.331 -0.85 . . . . 1.62 109.544 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -62.15 -38.47 89.12 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 3.68 111.309 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 58.6 m -64.54 -51.53 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.51 -0.314 . . . . 0.5 110.816 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.3 t -48.13 -58.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.863 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.656 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.6 ptm -55.29 -46.48 76.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.69 -0.404 . . . . 0.84 111.684 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.656 ' N ' ' HG3' ' A' ' 97' ' ' MET . 20.5 t70 -63.94 -40.21 95.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.511 -0.768 . . . . 0.67 111.706 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -73.29 -44.83 58.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.044 -0.526 . . . . 1.55 111.132 -178.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.811 ' O ' HD13 ' A' ' 104' ' ' LEU . 42.8 mm -58.12 -45.18 88.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 N-CA-C 109.182 -0.673 . . . . 0.22 109.182 170.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.652 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 19.9 mtmt -42.91 -64.04 0.69 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.222 0.534 . . . . 0.92 111.509 175.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.3 ttp -57.47 -52.59 64.75 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.893 -1.049 . . . . 1.41 111.798 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.458 HG21 ' HA ' ' A' ' 3' ' ' HIS . 57.2 m -50.51 -45.47 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.302 -0.863 . . . . 0.27 111.323 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.7 mp -75.15 -50.74 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.491 0.662 . . . . 1.03 109.314 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -58.24 -44.66 88.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.476 -1.238 . . . . 1.72 112.368 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.8 mm100 -63.3 -45.92 89.13 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.487 -0.133 . . . . 2.21 111.226 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 25' ' ' ALA . 80.2 mt -56.35 -44.01 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.706 -0.479 . . . . 0.39 109.706 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.814 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 70.1 mt -58.08 -54.9 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 115.489 -0.778 . . . . 0.4 110.776 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -59.86 -22.35 62.19 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.6 -0.727 . . . . 1.32 110.833 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 97.5 mtt180 -72.45 -46.1 56.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.098 -0.501 . . . . 2.87 110.771 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 . . . . . 0 N--CA 1.461 0.108 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.581 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.44 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.9 m80 . . . . . 0 CA--C 1.519 -0.238 0 N-CA-C 112.03 0.382 . . . . 0.61 112.03 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.5 p -152.15 161.93 41.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.864 0.84 . . . . 0.28 112.778 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.02 149.47 7.51 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 113.903 -1.499 . . . . 0.15 110.413 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.83 117.74 9.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.37 0.605 . . . . 0.19 111.476 -174.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.799 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.64 170.67 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.024 -0.989 . . . . 0.16 109.776 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.66 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -129.74 134.34 63.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 109.578 -0.527 . . . . 0.36 109.578 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 45.4 t80 -147.35 130.36 16.31 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.276 -0.638 . . . . 0.39 109.276 -174.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.644 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.2 mt-10 62.35 40.56 11.08 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.279 0.561 . . . . 1.33 111.133 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 6.3 mptt 64.86 4.1 2.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.933 -1.031 . . . . 2.23 113.289 177.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.8 p -112.39 148.53 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.646 -0.502 . . . . 0.26 109.646 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.66 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 t -97.04 153.39 17.96 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.815 -0.63 . . . . 1.29 111.957 -174.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -175.08 -150.31 7.78 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.431 -0.804 . . . . 0.17 111.968 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.48 146.03 29.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.58 -0.526 . . . . 0.18 109.58 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -99.91 131.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.104 -1.443 . . . . 0.17 107.104 171.256 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.74 113.4 8.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.847 0.356 . . . . 0.15 111.554 -170.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.702 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -93.46 125.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.546 0.689 . . . . 0.23 111.711 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.59 141.12 31.82 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.395 -1.275 . . . . 1.36 110.662 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 22' ' ' VAL . 34.0 mt-10 -115.81 -147.18 0.41 Allowed 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 103.473 -2.788 . . . . 1.47 103.473 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -31.04 31.54 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 130.377 3.471 . . . . 3.67 118.271 -141.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.8 m -95.69 -166.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.869 0 CA-C-N 113.09 -1.868 . . . . 0.9 106.77 171.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.1 m -69.52 159.28 84.28 Favored Pre-proline 0 C--N 1.31 -1.151 0 N-CA-C 105.805 -1.924 . . . . 1.23 105.805 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.1 Cg_exo -36.18 127.14 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.458 2.105 . . . . 0.56 113.262 -149.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -34.79 128.93 0.45 Allowed 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.007 1.442 . . . . 0.27 111.667 -165.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -128.93 141.91 51.11 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.812 -0.631 . . . . 0.69 111.217 -168.168 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.477 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -102.56 129.78 49.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.561 -0.903 . . . . 0.59 108.561 177.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -122.39 107.93 12.63 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.513 -0.312 . . . . 0.22 111.22 -171.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.1 t90 -91.07 118.2 30.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.884 -0.726 . . . . 0.22 109.042 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.826 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.2 ptt180 -119.5 130.31 55.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.836 -0.62 . . . . 1.93 110.09 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.1 p -65.78 151.86 45.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.124 -0.489 . . . . 0.27 110.014 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.6 p -49.76 -38.38 33.64 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.97 111.347 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.26 -28.59 69.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.53 -0.759 . . . . 2.57 111.573 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.76 11.94 57.36 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.742 -0.663 . . . . 1.07 111.571 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.17 -47.28 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.014 0.435 . . . . 2.64 111.409 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.0 mttt -90.68 133.04 35.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.174 -0.466 . . . . 1.2 110.744 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.826 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -143.44 117.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.651 -0.87 . . . . 0.83 108.651 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -120.64 114.67 22.03 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.241 -0.652 . . . . 0.33 109.241 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.81 125.81 49.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.422 0.629 . . . . 0.32 111.429 -172.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.99 100.96 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.972 -1.013 . . . . 0.23 110.146 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.6 113.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.573 -0.899 . . . . 0.63 108.573 175.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.6 -22.3 8.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.894 1.072 . . . . 1.24 113.894 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 40.9 m -62.37 -16.87 57.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 1.08 111.363 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -102.03 8.45 40.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.36 110.717 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.8 mm -109.45 142.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.299 -0.41 . . . . 0.36 110.722 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 18.5 t70 -109.13 -40.07 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.086 -0.506 . . . . 0.7 111.353 -173.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.6 tmtp? -135.27 174.74 10.27 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.181 0.515 . . . . 1.56 111.154 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -144.72 139.53 27.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.233 -0.894 . . . . 1.37 109.219 177.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 96.7 mt-30 -133.18 151.94 51.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.639 -0.255 . . . . 2.28 110.403 -177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.41 145.54 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.46 -0.336 . . . . 0.43 110.461 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 0.55 111.293 179.447 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt . . . . . 0 N--CA 1.435 -1.224 0 CA-C-O 121.372 0.606 . . . . 2.29 111.866 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -137.27 113.0 9.52 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.182 -0.917 . . . . 1.13 110.161 -174.253 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.4 tpp -144.02 143.53 31.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.48 -0.782 . . . . 0.63 111.411 -170.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.8 mm? -116.43 147.37 41.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.04 0.448 . . . . 0.48 109.801 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.546 ' NE ' ' HD2' ' A' ' 86' ' ' ARG . 73.9 mtt180 -121.06 146.13 47.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.597 0.713 . . . . 2.37 111.542 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -111.49 105.02 13.48 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.238 -1.346 . . . . 0.7 108.43 173.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 14.0 mm -87.11 99.91 9.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.787 -0.82 . . . . 0.41 108.787 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -64.67 155.59 47.56 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.849 -0.691 . . . . 0.37 113.103 -174.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 60.0 mttt . . . . . 0 C--N 1.319 -0.759 0 CA-C-O 121.98 0.895 . . . . 1.16 112.439 -178.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 . . . . . 0 CA--C 1.519 -0.228 0 CA-C-O 121.298 0.57 . . . . 2.01 109.877 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HD2' ' NE ' ' A' ' 61' ' ' ARG . 21.0 ttp180 -111.16 140.18 45.92 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.654 -0.703 . . . . 2.24 112.71 -167.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.8 m-70 -102.69 155.67 18.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.48 -0.933 . . . . 0.6 108.48 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.1 ttm -138.49 133.01 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.1 -0.24 . . . . 0.73 110.408 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -127.52 137.74 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.932 -0.396 . . . . 0.94 109.932 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 30.2 m -100.88 129.14 46.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.054 -0.521 . . . . 1.3 111.325 -175.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.799 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.6 m-85 -113.42 177.59 4.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.32 111.01 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -134.01 26.76 3.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.06 -0.973 . . . . 1.17 110.736 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -160.88 131.26 5.19 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.146 -0.316 . . . . 1.62 110.146 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' A' ' 97' ' ' MET . 8.5 mpt_? -67.48 -30.89 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.361 -0.381 . . . . 3.68 111.062 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -61.84 -53.3 57.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.923 0.392 . . . . 0.5 110.213 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 91' ' ' PHE . 80.9 t -52.57 -49.11 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.27 110.428 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 62.2 mmm -45.88 -57.3 4.46 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.607 0.595 . . . . 0.84 112.607 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 14.2 t70 -66.15 -38.99 89.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -174.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.59 -56.09 9.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 1.55 110.997 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.1 mm -59.05 -39.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.22 109.964 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 18.1 mtmt -49.75 -64.1 0.91 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.502 0.668 . . . . 0.92 110.619 174.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.522 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 27.2 ttm -58.52 -49.87 75.83 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 114.248 -1.342 . . . . 1.41 112.046 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.44 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.6 m -52.19 -46.68 65.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.27 111.887 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.5 mp -77.04 -50.48 13.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 1.03 109.661 -175.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.51 -47.9 63.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.768 -1.106 . . . . 1.72 111.88 -178.338 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.522 ' NE2' ' HG2' ' A' ' 102' ' ' MET . 49.0 mt-30 -62.03 -47.37 85.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.717 0.294 . . . . 2.21 111.111 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 70.5 mt -62.9 -41.59 93.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.239 -0.437 . . . . 0.39 110.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 67.9 mt -59.58 -47.0 92.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.281 -0.418 . . . . 0.4 110.015 174.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.5 t -57.38 -34.57 68.99 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.07 -0.514 . . . . 1.32 110.926 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.2 mtt180 -60.91 -41.41 96.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.117 0.484 . . . . 2.87 110.566 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.77 0.795 . . . . 2.75 109.789 -178.324 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 . . . . . 0 C--O 1.222 -0.358 0 N-CA-C 112.547 0.573 . . . . 0.61 112.547 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 16.7 p -162.16 159.59 26.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.7 0.762 . . . . 0.28 112.828 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.69 151.01 9.19 Favored Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 114.216 -1.356 . . . . 0.15 110.427 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.633 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.75 115.58 9.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.232 0.539 . . . . 0.19 112.146 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.834 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.28 173.55 8.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.18 -0.918 . . . . 0.16 110.23 -175.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -129.51 137.52 56.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 110.044 -0.354 . . . . 0.36 110.044 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 45.8 t80 -149.98 129.87 13.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.293 -0.632 . . . . 0.39 109.293 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 48.8 mt-10 63.2 42.2 7.3 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.309 0.576 . . . . 1.33 111.244 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -4.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 2.23 113.183 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -104.89 147.71 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.641 -0.503 . . . . 0.26 109.641 175.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.636 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.4 t -96.28 157.02 16.09 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.59 -0.732 . . . . 1.29 111.348 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.12 -146.19 5.86 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.165 -0.925 . . . . 0.17 111.851 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.51 146.86 30.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.57 -0.53 . . . . 0.18 109.57 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.55 131.51 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.372 -1.344 . . . . 0.17 107.372 169.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 118.15 12.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.77 0.319 . . . . 0.15 111.775 -170.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.54 122.48 47.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.392 0.615 . . . . 0.23 110.68 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -99.66 145.85 27.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.76 -1.109 . . . . 1.36 109.751 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 22' ' ' VAL . 41.6 mt-10 -111.87 -146.27 0.41 Allowed 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 105.833 -1.914 . . . . 1.47 105.833 -174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.68 30.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 131.13 3.772 . . . . 3.67 118.295 -142.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 20' ' ' GLU . 32.9 m -94.88 -168.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.265 -3.106 0 CA-C-N 113.334 -1.757 . . . . 0.9 106.413 169.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -69.64 149.58 96.86 Favored Pre-proline 0 C--N 1.305 -1.333 0 N-CA-C 106.131 -1.803 . . . . 1.23 106.131 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 41' ' ' VAL . 83.9 Cg_exo -34.53 125.43 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.964 2.443 . . . . 0.56 113.977 -142.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -24.99 125.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 125.647 1.842 . . . . 0.27 112.694 -168.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 6.0 mt-10 -114.46 142.79 45.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.692 0.758 . . . . 0.69 111.047 -169.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -103.47 113.72 27.45 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.475 -1.305 . . . . 0.59 107.475 -176.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 8.5 m -115.43 107.84 15.71 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.931 -0.577 . . . . 0.22 111.2 -170.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 75.9 t90 -88.0 129.02 35.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.793 -1.188 . . . . 0.22 107.793 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.769 ' CB ' HG12 ' A' ' 37' ' ' VAL . 13.3 ptt180 -137.68 135.62 36.65 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.835 0.826 . . . . 1.93 110.831 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.445 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -64.88 151.71 44.87 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.045 -1.434 . . . . 0.27 110.472 -173.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.46 HG23 ' HA2' ' A' ' 14' ' ' GLY . 19.8 p -53.47 -25.91 18.3 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.278 0.844 . . . . 0.97 113.278 -169.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -83.28 -22.76 32.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.186 0.517 . . . . 2.57 111.034 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 6.23 58.87 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.999 -0.62 . . . . 1.07 112.155 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.84 -64.19 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.799 0.333 . . . . 2.64 111.342 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.4 tttp -85.05 119.44 25.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.019 -0.537 . . . . 1.2 111.007 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.769 HG12 ' CB ' ' A' ' 30' ' ' ARG . 12.6 m -129.88 150.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.387 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.568 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m-70 -142.61 120.59 12.06 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.453 -0.943 . . . . 0.33 108.453 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.469 HG23 ' OG1' ' A' ' 28' ' ' THR . 1.0 OUTLIER -109.63 116.87 32.53 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.667 0.746 . . . . 0.32 111.738 -172.591 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.556 ' CG1' HD11 ' A' ' 45' ' ' ILE . 58.0 t -103.77 99.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.87 -1.059 . . . . 0.23 110.755 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.84 116.99 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.901 -0.777 . . . . 0.63 108.901 175.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 25' ' ' ALA . 2.4 mm? -51.75 -23.2 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.067 1.136 . . . . 1.24 114.067 -172.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -68.5 -11.33 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.944 0.402 . . . . 1.08 111.005 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 p -100.65 6.77 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 0.36 110.526 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.57 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.0 mm -99.33 146.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.972 -0.558 . . . . 0.36 111.839 -178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -115.8 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.7 110.91 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 48.9 tptt -135.28 174.54 10.5 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.981 -0.378 . . . . 1.56 109.981 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.08 135.12 25.41 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.791 -0.818 . . . . 1.37 108.791 172.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 12.8 mm100 -125.32 147.03 49.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.266 -0.424 . . . . 2.28 110.153 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.68 155.12 48.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.103 -0.498 . . . . 0.43 109.981 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 59' ' ' MET . 5.8 p . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.92 0.39 . . . . 0.55 111.752 -178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt . . . . . 0 N--CA 1.446 -0.646 0 CA-C-O 121.406 0.622 . . . . 2.29 111.42 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.649 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 15.5 mtm -101.77 112.72 25.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.933 -1.031 . . . . 1.13 110.036 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.475 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.4 tpp -140.32 141.3 35.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.009 -0.541 . . . . 0.63 110.238 -176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.674 HD11 ' HG3' ' A' ' 101' ' ' LYS . 2.2 mm? -116.81 150.82 37.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.173 -0.467 . . . . 0.48 110.147 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 82.6 mtt180 -126.37 133.85 51.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 2.37 110.932 170.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.883 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.3 mm? -96.6 107.17 19.55 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.913 -1.143 . . . . 0.7 107.913 171.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.8 mm -87.52 99.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 C-N-CA 120.11 -0.636 . . . . 0.41 109.472 -177.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.57 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.58 158.69 53.65 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.721 -0.951 . . . . 0.37 110.721 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 82.9 mttt . . . . . 0 N--CA 1.435 -1.189 0 CA-C-O 121.765 0.793 . . . . 1.16 110.049 178.221 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 . . . . . 0 CA--C 1.516 -0.354 0 N-CA-C 109.259 -0.645 . . . . 2.01 109.259 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 13.5 ptt180 -119.32 158.32 26.34 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.439 0.638 . . . . 2.24 111.904 -173.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.537 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 82.0 m-70 -116.08 145.92 42.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.762 -1.108 . . . . 0.6 108.557 -177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 14.2 ttm -132.09 129.33 39.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 118.581 0.628 . . . . 0.73 112.332 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.883 ' CE2' HD23 ' A' ' 62' ' ' LEU . 1.5 m-85 -126.43 132.99 51.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.435 -0.802 . . . . 0.94 111.78 -173.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.471 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 8.7 t -100.82 128.25 46.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.401 -0.363 . . . . 1.3 110.33 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.834 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.7 m-85 -112.34 176.95 4.8 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.247 -0.649 . . . . 0.32 109.247 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.91 31.03 2.75 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.313 0.578 . . . . 1.17 110.401 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -149.64 130.27 14.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.587 -0.733 . . . . 1.62 109.841 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.649 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 13.4 mmt180 -64.46 -43.91 92.76 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.101 -0.954 . . . . 3.68 111.572 -173.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.1 m -62.36 -48.22 80.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.5 110.792 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 91' ' ' PHE . 42.4 t -48.85 -59.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.764 -0.653 . . . . 0.27 111.945 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.6 ptm -60.08 -48.39 81.94 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.288 -0.565 . . . . 0.84 111.105 -174.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.658 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -58.09 -37.97 75.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.825 -0.625 . . . . 0.67 111.815 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -73.34 -54.05 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.912 -0.403 . . . . 1.55 109.912 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 104' ' ' LEU . 44.0 mm -50.89 -46.51 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.748 -0.66 . . . . 0.22 109.776 171.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 60' ' ' LEU . 25.1 mtpt -42.78 -64.0 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.443 0.64 . . . . 0.92 111.267 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.2 ttm -59.8 -53.8 53.76 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.626 -1.17 . . . . 1.41 112.174 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 107' ' ' ILE . 71.8 m -48.06 -46.21 33.18 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.451 0.47 . . . . 0.27 112.108 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.788 HD11 HD11 ' A' ' 18' ' ' ILE . 3.8 mp -74.03 -50.99 17.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.499 0.666 . . . . 1.03 109.33 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -56.13 -43.49 78.26 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.456 -1.247 . . . . 1.72 111.958 -178.447 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -62.86 -41.87 99.54 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.689 -0.232 . . . . 2.21 111.216 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.6 mt -66.39 -37.51 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.39 110.217 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 104' ' ' LEU . 76.0 mt -59.05 -53.44 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.203 0.525 . . . . 0.4 109.947 172.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 t -59.45 -35.62 74.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.754 . . . . 1.32 110.459 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -55.94 -36.7 68.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 123.256 0.622 . . . . 2.87 111.989 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 107' ' ' ILE . 28.0 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 2.75 110.539 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 N--CA 1.481 0.778 0 N-CA-C 111.601 -0.192 . . . . 3.6 111.601 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -82.11 44.85 0.88 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.947 0.403 . . . . 1.99 112.079 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -152.51 -7.41 0.2 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.134 -0.484 . . . . 0.61 111.0 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 25.5 p -150.6 173.84 13.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.18 -0.608 . . . . 0.28 112.48 -172.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.41 148.67 5.65 Favored Glycine 0 N--CA 1.441 -0.988 0 CA-C-N 114.748 -1.115 . . . . 0.15 110.667 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.87 114.36 5.65 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.277 0.561 . . . . 0.19 111.873 -173.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.86 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.63 172.17 8.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.011 -0.995 . . . . 0.16 109.605 -177.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -129.5 134.73 63.04 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 109.954 -0.387 . . . . 0.36 109.954 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.585 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 35.2 t80 -150.2 125.84 10.32 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.153 -0.476 . . . . 0.39 109.969 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.585 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 63.05 46.15 4.87 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.327 0.584 . . . . 1.33 111.405 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 69.11 -0.15 2.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.834 -1.075 . . . . 2.23 113.31 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -117.39 148.9 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.706 -0.479 . . . . 0.26 109.706 177.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.6 m -94.43 157.06 16.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.753 -0.658 . . . . 1.29 111.27 -177.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.2 -147.49 6.47 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.997 -0.547 . . . . 0.17 112.159 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.68 146.01 32.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.467 -0.568 . . . . 0.18 109.467 175.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -100.13 133.09 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.785 0 N-CA-C 107.297 -1.372 . . . . 0.17 107.297 170.231 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.06 108.74 5.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.085 0.402 . . . . 0.15 112.085 -169.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.685 HD11 HD11 ' A' ' 104' ' ' LEU . 3.2 mp -87.89 126.25 41.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.286 0.565 . . . . 0.23 109.945 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -115.08 121.13 42.13 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.417 -0.811 . . . . 1.36 110.657 -172.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -120.89 70.73 0.91 Allowed 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 118.981 -1.088 . . . . 1.47 108.622 167.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -112.82 -17.06 12.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.75 1.262 . . . . 3.67 108.612 161.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 29.0 m -107.31 -169.04 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 112.687 -2.051 . . . . 0.9 111.245 -162.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.0 m -72.97 169.06 19.15 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 105.655 -1.979 . . . . 1.23 105.655 174.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 23' ' ' SER . 50.5 Cg_exo -34.08 125.58 0.17 Allowed 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 122.687 2.258 . . . . 0.56 113.541 -150.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.646 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.79 130.44 0.77 Allowed 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 113.826 -1.534 . . . . 0.27 112.683 -164.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.5 mt-10 -116.97 148.1 41.71 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 120.219 -0.592 . . . . 0.69 110.012 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.707 HD13 HD21 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -102.98 128.92 49.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.63 -0.714 . . . . 0.59 109.078 179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 6.5 m -122.93 108.58 13.11 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 116.133 -0.485 . . . . 0.22 111.434 -171.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.16 120.71 30.78 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.63 -0.828 . . . . 0.22 108.885 171.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.858 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.5 OUTLIER -124.7 132.51 53.39 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.671 -0.695 . . . . 1.93 109.994 176.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 85.8 p -63.26 162.34 12.25 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.8 -0.636 . . . . 0.27 110.633 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.0 p -56.16 -35.01 66.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.212 0.53 . . . . 0.97 111.409 -176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -74.53 -28.49 61.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.733 -0.667 . . . . 2.57 110.96 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.91 -7.86 59.23 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.857 -0.687 . . . . 1.07 112.663 176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.55 -50.47 65.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.127 0.489 . . . . 2.64 111.162 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.685 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 3.6 mttp -85.45 120.74 27.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.743 -0.662 . . . . 1.2 110.858 -179.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.858 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.6 t -132.71 126.56 54.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 108.914 -0.773 . . . . 0.83 108.914 176.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 28' ' ' THR . 13.0 m-70 -129.22 115.98 18.47 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.327 -0.62 . . . . 0.33 109.327 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.9 OUTLIER -105.73 133.05 51.08 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.033 0.444 . . . . 0.32 111.38 -173.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 51.1 t -121.72 102.0 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.23 110.664 -177.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.31 119.25 16.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.517 0.675 . . . . 0.63 109.828 175.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.1 mt -66.92 -16.77 64.55 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.941 -1.027 . . . . 1.24 113.166 -168.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.402 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 26.8 t -65.27 -21.47 66.73 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.789 0.328 . . . . 1.08 110.728 177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.2 p -93.92 2.27 56.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.14 0.495 . . . . 0.36 110.479 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.2 mm -99.13 139.76 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 CA-C-N 115.874 -0.603 . . . . 0.36 111.807 -176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.414 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 15.8 t70 -98.6 -42.28 7.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 0.7 110.496 -178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.2 tmtt? -143.78 174.18 11.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.306 0.574 . . . . 1.56 110.554 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -147.26 154.77 41.39 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.676 -0.693 . . . . 1.37 109.146 166.469 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.468 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.5 mt-30 -142.21 162.92 34.24 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 116.04 -0.527 . . . . 2.28 110.545 -168.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.516 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.52 164.4 32.68 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 123.468 0.48 . . . . 0.43 110.087 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.42 HG21 ' HG3' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -68.84 134.23 90.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.55 111.625 179.205 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -60.51 147.31 94.8 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.784 2.323 . . . . 1.1 111.59 175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.76 -20.2 63.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.6 -0.727 . . . . 1.58 112.233 -174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 p -70.36 -25.96 63.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.133 0.492 . . . . 1.55 110.561 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 t -93.77 137.27 33.19 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.366 -0.605 . . . . 1.32 109.366 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.16 -30.78 55.13 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.113 -0.494 . . . . 2.37 111.52 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG3' HG21 ' A' ' 51' ' ' THR . 16.6 ptpt -68.87 155.05 40.93 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.203 0.525 . . . . 2.29 111.143 -174.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.6 mpt? -113.37 119.88 39.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.369 -173.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -146.08 140.1 26.5 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.927 -0.309 . . . . 0.63 111.161 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.1 mm? -120.67 153.5 36.81 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.041 -0.726 . . . . 0.48 109.041 168.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.3 mtt180 -123.14 153.15 40.38 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.227 -0.442 . . . . 2.37 111.373 173.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.814 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -117.01 104.43 11.25 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.488 -0.778 . . . . 0.7 109.071 169.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.579 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.5 mm -88.43 99.34 8.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 109.735 -0.469 . . . . 0.41 109.735 -176.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.72 152.37 47.48 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.334 -0.936 . . . . 0.37 111.703 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 83.2 mttt -63.93 162.2 14.27 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.988 0.899 . . . . 1.16 111.631 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 11.4 m -115.4 170.73 5.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 CA-C-N 113.939 -1.482 . . . . 1.48 111.754 -174.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' C ' ' H ' ' A' ' 69' ' ' SER . 1.6 m-20 -58.56 150.27 23.39 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.197 -1.365 . . . . 4.14 110.023 170.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.8 2.35 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.594 -0.73 . . . . 4.61 112.66 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 67' ' ' ASP . 8.0 p -57.15 4.8 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.108 0.963 . . . . 4.68 113.132 174.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.6 mttt -66.05 -1.25 2.94 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.564 0.697 . . . . 6.99 109.517 167.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 69' ' ' SER . 52.9 tttt -50.12 161.35 0.28 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.06 -1.427 . . . . 8.2 112.016 175.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -55.96 169.78 0.35 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.988 -1.005 . . . . 10.67 112.321 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 10.7 mtmp? -66.31 167.07 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.564 0.697 . . . . 8.97 111.829 -171.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 36.4 t70 -84.2 170.99 13.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.042 -0.981 . . . . 8.74 110.96 -175.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -63.86 -28.29 69.75 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.561 0.22 . . . . 11.37 111.14 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -93.83 15.63 16.12 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.787 0.803 . . . . 11.2 108.904 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.558 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 87.32 -61.25 4.25 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 114.451 -1.25 . . . . 8.81 110.092 -176.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 80' ' ' VAL . 9.5 m-80 45.13 -56.88 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.871 1.434 . . . . 8.6 114.871 -169.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 60.09 81.95 0.17 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.87 -0.789 . . . . 8.38 108.87 -171.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 78' ' ' ASN . 2.1 m -111.24 144.57 18.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.475 0.655 . . . . 5.39 111.367 -172.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.9 t -120.46 124.62 27.57 Favored Pre-proline 0 C--N 1.314 -0.946 0 N-CA-C 107.965 -1.124 . . . . 4.27 107.965 168.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.79 125.62 14.04 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 121.928 1.752 . . . . 2.92 112.134 -173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 30.9 mmmt -71.16 117.77 59.64 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.826 -0.625 . . . . 4.42 111.401 -177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.602 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 22.4 Cg_exo -70.73 144.43 48.87 Favored 'Trans proline' 0 C--N 1.332 -0.29 0 C-N-CA 124.518 3.479 . . . . 0.94 113.392 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -90.41 114.93 27.16 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.006 -0.739 . . . . 2.01 109.006 169.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 22.8 ptt180 -125.11 160.91 27.98 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.434 0.635 . . . . 2.24 112.231 -172.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.58 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 96.1 m-70 -114.91 151.23 34.38 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.916 -1.038 . . . . 0.6 108.897 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.43 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 32.3 ttm -133.26 130.93 39.64 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.251 -0.579 . . . . 0.73 111.557 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.814 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.0 m-85 -123.03 132.18 54.02 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.602 -0.726 . . . . 0.94 111.244 -175.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.58 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.7 m -99.53 122.11 42.13 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.01 -0.541 . . . . 1.3 111.157 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.86 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 91.3 m-85 -112.4 178.87 4.15 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.382 -0.599 . . . . 0.32 109.382 172.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.708 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 25.2 p-10 -142.66 36.65 1.46 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.64 -0.709 . . . . 1.17 110.215 174.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.487 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.4 t-20 -152.83 128.12 9.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.317 -0.856 . . . . 1.62 109.422 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -71.96 -35.5 69.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 3.68 111.57 -175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.487 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 59.9 m -59.67 -51.04 71.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.864 0.364 . . . . 0.5 110.39 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' CD1' ' A' ' 91' ' ' PHE . 46.5 t -52.7 -54.9 13.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.621 -0.718 . . . . 0.27 110.617 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 6.5 mtp -45.79 -56.8 4.88 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 112.424 0.527 . . . . 0.84 112.424 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.635 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 17.0 t70 -64.12 -39.17 93.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.369 -0.378 . . . . 0.67 111.219 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -67.68 -50.08 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 1.55 110.942 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.8 ' O ' HD13 ' A' ' 104' ' ' LEU . 51.4 mm -61.69 -41.23 89.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.569 -0.53 . . . . 0.22 109.569 175.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.635 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 30.7 mtmt -50.54 -60.06 3.4 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.508 0.67 . . . . 0.92 110.168 173.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 39.5 mtm -59.6 -50.15 74.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.43 -1.259 . . . . 1.41 112.422 -178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 88.8 m -54.16 -48.76 70.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.27 111.384 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.8 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.1 mp -70.92 -51.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.085 -0.709 . . . . 1.03 109.085 -176.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -50.46 -50.83 51.35 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 114.636 -1.165 . . . . 1.72 111.88 -178.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.583 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.1 mm-40 -66.43 -49.89 65.23 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.328 0.492 . . . . 2.21 112.328 -176.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 25' ' ' ALA . 46.4 mt -62.44 -43.69 98.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 120.594 -0.442 . . . . 0.39 110.307 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.466 ' O ' ' HD2' ' A' ' 112' ' ' LYS . 44.6 mt -53.42 -49.27 54.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.809 -0.632 . . . . 0.4 110.185 173.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.494 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 67.6 m -69.76 -21.81 63.41 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.669 -0.696 . . . . 1.32 112.032 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 93.8 mtt180 -68.18 -24.4 64.96 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.021 0.438 . . . . 2.87 110.169 174.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -87.7 -15.83 36.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.787 -0.642 . . . . 2.75 109.907 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 7.8 mttp -89.45 -51.86 5.33 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.195 -0.911 . . . . 1.63 111.052 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -75.27 -35.61 61.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.804 0.812 . . . . 1.6 109.52 177.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 110' ' ' ARG . . . 63.25 31.28 15.56 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 113.693 -1.594 . . . . 1.33 112.182 171.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.716 -0.659 . . . . 2.23 109.863 177.556 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.561 0.219 . . . . 3.79 110.654 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.6 p -84.53 -44.81 13.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.699 -0.228 . . . . 2.78 111.373 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -56.59 -29.75 62.45 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 121.392 0.615 . . . . 3.58 110.307 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.49 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 3.5 m-20 -64.23 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.026 -0.988 . . . . 2.67 110.561 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -75.62 -26.17 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 2.16 110.865 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.734 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 18.2 m-85 -63.49 -34.07 76.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 1.84 111.698 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -82.29 -15.04 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.098 0.475 . . . . 2.39 110.107 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 6.7 mmpt? -80.94 -48.21 12.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.521 . . . . 2.91 110.81 179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.734 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 33.0 p-90 -68.94 -25.75 64.72 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.588 -0.445 . . . . 1.06 110.871 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.43 ' HZ3' ' SD ' ' A' ' 88' ' ' MET . 0.9 OUTLIER -65.62 -40.37 92.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.323 0.582 . . . . 1.02 109.879 177.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -79.64 -35.09 39.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.72 -0.673 . . . . 3.37 110.456 178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 37.7 t -60.89 -43.96 97.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.075 -0.511 . . . . 1.9 110.298 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -67.84 -29.64 68.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 2.32 110.386 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -76.08 -40.13 53.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 3.14 110.29 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.35 -21.33 65.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.58 110.93 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -66.19 -46.02 78.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 3.65 110.216 175.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -73.76 -36.64 65.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 3.22 110.158 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.8 ttt -83.98 72.09 10.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.313 0.577 . . . . 4.43 109.943 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 118.724 -1.042 . . . . 6.18 112.102 -178.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo . . . . . 0 N--CA 1.479 0.62 0 N-CA-C 111.024 -0.414 . . . . 3.6 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.423 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 78.1 p 58.83 176.3 0.07 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.068 0.947 . . . . 1.99 112.655 178.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 103' ' ' THR . 47.8 m80 70.65 -44.57 0.58 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.201 1.185 . . . . 0.61 114.201 174.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.574 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 7.9 p -140.07 157.48 45.58 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 113.83 1.048 . . . . 0.28 113.83 -173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.404 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . 174.04 154.93 11.26 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 113.588 -1.642 . . . . 0.15 110.112 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.625 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.27 116.77 8.42 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.322 0.582 . . . . 0.19 112.087 -172.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.815 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -122.49 173.22 7.81 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.064 -0.971 . . . . 0.16 110.157 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.7 mp -131.99 135.68 58.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-N 116.052 -0.522 . . . . 0.36 109.899 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.634 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 44.8 t80 -149.21 131.89 15.93 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.815 -0.809 . . . . 0.39 108.815 -175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.634 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.6 mt-10 64.24 32.3 12.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.557 0.694 . . . . 1.33 110.398 -176.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt 65.09 3.22 2.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.564 -1.198 . . . . 2.23 112.986 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.415 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -103.64 148.66 8.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 171.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 15.4 t -98.51 154.0 18.21 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.32 0.581 . . . . 1.29 111.96 -174.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.521 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.12 -148.14 6.2 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 114.906 -1.043 . . . . 0.17 111.791 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.58 145.09 31.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.615 -0.513 . . . . 0.18 109.615 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.574 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.36 132.92 45.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 106.888 -1.523 . . . . 0.17 106.888 170.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.86 5.5 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.187 0.44 . . . . 0.15 112.187 -170.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.706 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.9 mp -92.61 131.04 40.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.884 0.373 . . . . 0.23 110.131 177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -119.24 129.26 54.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.852 -0.613 . . . . 1.36 110.757 -177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 13.8 mt-10 -120.27 72.71 0.95 Allowed 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 107.753 -1.203 . . . . 1.47 107.753 167.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -112.91 -23.3 10.17 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.982 1.372 . . . . 3.67 108.553 164.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 m -107.16 -169.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.94 0 CA-C-N 112.08 -2.327 . . . . 0.9 111.568 -163.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 49.9 p -73.04 168.56 23.62 Favored Pre-proline 0 C--N 1.315 -0.929 0 N-CA-C 105.419 -2.067 . . . . 1.23 105.419 173.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.652 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 77.1 Cg_exo -33.29 125.64 0.13 Allowed 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.594 2.196 . . . . 0.56 113.912 -146.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.578 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.28 130.01 0.36 Allowed 'General case' 0 CA--C 1.508 -0.66 0 O-C-N 125.527 1.767 . . . . 0.27 112.307 -169.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.43 145.05 42.34 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 119.859 -0.737 . . . . 0.69 110.085 -177.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.56 129.72 50.83 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.718 -1.128 . . . . 0.59 108.876 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 m -120.62 107.87 13.34 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 120.845 -0.342 . . . . 0.22 110.768 -175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 87.4 t90 -89.35 114.96 26.44 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 119.115 -1.034 . . . . 0.22 108.27 169.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.946 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.1 ptt180 -124.46 122.74 38.46 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.392 -0.822 . . . . 1.93 110.284 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.521 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.6 p -58.23 154.0 14.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.85 -1.068 . . . . 0.27 111.342 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.5 p -52.11 -39.35 59.72 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.989 0.423 . . . . 0.97 111.378 -174.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -67.15 -26.48 66.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.667 -0.697 . . . . 2.57 111.585 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.08 3.59 63.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 1.07 112.042 -177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -76.12 -62.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 2.64 110.721 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.0 mttt -80.27 128.77 33.92 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.834 -0.621 . . . . 1.2 111.468 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.946 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.8 t -139.43 117.49 11.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.897 -0.779 . . . . 0.83 108.897 174.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.25 116.07 24.19 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.009 -0.737 . . . . 0.33 109.009 -179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.47 119.6 39.97 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.643 0.735 . . . . 0.32 111.845 -171.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.1 t -106.83 101.88 13.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 114.787 -1.097 . . . . 0.23 110.362 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -68.62 116.84 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.359 -0.978 . . . . 0.63 108.359 171.688 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.03 -24.54 66.26 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.037 -0.983 . . . . 1.24 112.563 -168.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.652 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 44.9 t -52.6 -23.42 6.42 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.636 0.255 . . . . 1.08 111.672 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.4 p -88.25 -2.53 58.66 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.216 0.531 . . . . 0.36 110.86 -177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.541 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 10.2 mm -100.77 145.16 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-N 115.589 -0.732 . . . . 0.36 110.032 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.598 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 14.7 t70 -105.89 -43.24 4.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.999 0.428 . . . . 0.7 110.114 178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.624 ' HB3' HG13 ' A' ' 63' ' ' ILE . 4.2 tmtp? -135.38 174.95 10.04 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 121.288 0.566 . . . . 1.56 110.22 -175.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.598 HD22 HD12 ' A' ' 108' ' ' ILE . 2.4 pt? -142.81 154.06 43.83 Favored 'General case' 0 C--N 1.309 -1.157 0 N-CA-C 108.479 -0.934 . . . . 1.37 108.479 169.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.497 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.1 mt-30 -135.38 145.69 47.6 Favored 'General case' 0 C--N 1.313 -1.011 0 C-N-CA 120.93 -0.308 . . . . 2.28 110.27 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' A' ' 101' ' ' LYS . . . -135.19 145.83 48.11 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.113 -0.494 . . . . 0.43 110.735 -175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 p -77.58 153.21 81.18 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.805 -0.634 . . . . 0.55 112.519 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -53.88 139.05 69.74 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 124.012 3.142 . . . . 1.1 113.292 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.601 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -73.57 -20.2 60.69 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.901 -0.591 . . . . 1.58 110.095 174.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -73.54 -12.22 60.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.096 -0.956 . . . . 1.55 110.553 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.9 t -102.4 166.89 10.3 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.727 -0.669 . . . . 1.32 109.645 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.43 -39.08 33.19 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.956 0.408 . . . . 2.37 110.17 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -64.07 118.48 8.57 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.564 -0.743 . . . . 2.29 111.871 -167.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.581 ' SD ' ' HD2' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -98.57 113.01 24.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.852 -0.613 . . . . 1.13 110.04 176.408 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.5 tpp -139.44 145.55 38.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.929 -0.578 . . . . 0.63 110.872 -174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -126.19 143.62 51.07 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.192 0.52 . . . . 0.48 109.844 168.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 69.7 mtt180 -112.27 148.44 34.16 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 115.474 -0.785 . . . . 2.37 111.327 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.7 mm? -111.6 103.34 11.65 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 114.743 -1.117 . . . . 0.7 108.873 172.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.624 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.0 mm -87.73 98.42 7.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 N-CA-C 109.589 -0.522 . . . . 0.41 109.589 -175.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.64 149.7 49.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.943 -0.646 . . . . 0.37 112.239 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -66.2 161.02 22.95 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-O 122.445 1.117 . . . . 1.16 112.384 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.44 135.42 56.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-N 113.307 -1.77 . . . . 1.48 109.426 176.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.37 132.65 38.65 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 109.469 -0.567 . . . . 4.14 109.469 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.63 -15.8 63.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.916 0.388 . . . . 4.61 110.9 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.3 p -82.38 -23.42 34.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.127 0.489 . . . . 4.68 110.507 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -87.07 -5.93 58.88 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.607 -0.724 . . . . 6.99 110.006 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -58.78 153.05 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.995 -1.002 . . . . 8.2 111.414 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.9 mtm180 -126.66 157.9 37.76 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.356 -0.838 . . . . 10.67 111.636 -173.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -118.59 149.81 40.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.041 -0.981 . . . . 8.97 108.77 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.8 -172.77 2.36 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.746 -0.835 . . . . 8.74 108.746 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -60.67 -30.24 69.79 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 118.638 0.654 . . . . 11.37 112.058 -171.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -92.58 12.93 21.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.618 0.247 . . . . 11.2 111.427 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.25 39.19 97.38 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 121.28 -0.486 . . . . 8.81 112.21 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -60.46 -32.23 71.19 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.799 0.666 . . . . 8.6 112.799 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 61.95 76.72 0.36 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.36 0.6 . . . . 8.38 109.488 -175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.1 m -102.8 145.49 12.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.469 -0.787 . . . . 5.39 110.596 -174.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.2 p -76.75 128.26 82.15 Favored Pre-proline 0 N--CA 1.444 -0.748 0 N-CA-C 109.425 -0.583 . . . . 4.27 109.425 175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.71 150.97 57.28 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 122.401 2.067 . . . . 2.92 111.226 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 75.4 mmtt -64.11 117.77 39.63 Favored Pre-proline 0 N--CA 1.449 -0.519 0 CA-C-O 121.401 0.62 . . . . 4.42 110.443 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 47.6 Cg_exo -59.73 137.02 74.4 Favored 'Trans proline' 0 C--N 1.327 -0.579 0 C-N-CA 123.668 2.912 . . . . 0.94 111.98 -178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -77.51 115.34 17.19 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.612 -0.514 . . . . 2.01 109.612 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.9 ptp180 -113.33 151.91 30.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.744 0.783 . . . . 2.24 112.789 -169.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 60.3 m-70 -107.04 155.32 19.95 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.86 -1.163 . . . . 0.6 107.86 174.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.3 ttm -134.09 129.62 36.24 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.631 -0.428 . . . . 0.73 110.609 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE1' HD23 ' A' ' 62' ' ' LEU . 7.1 m-85 -124.51 133.36 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.065 0.459 . . . . 0.94 109.774 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.479 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 66.8 m -92.3 147.79 22.64 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 115.395 -0.82 . . . . 1.3 109.948 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.815 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 97.3 m-85 -120.06 177.3 5.05 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.29 0.567 . . . . 0.32 110.183 167.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.48 26.81 5.91 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.086 -0.961 . . . . 1.17 110.433 178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -157.69 135.03 10.33 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.179 -0.464 . . . . 1.62 109.809 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.601 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 14.3 mmm180 -72.39 -35.23 68.38 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.056 -0.52 . . . . 3.68 111.808 -173.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.1 m -67.3 -48.74 66.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.994 0.426 . . . . 0.5 110.428 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 100' ' ' ILE . 26.0 t -46.81 -57.52 1.03 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 115.274 -0.876 . . . . 0.27 111.95 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.68 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 10.8 ptm -55.07 -51.33 66.69 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.381 -0.528 . . . . 0.84 111.18 -176.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.664 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -56.23 -41.1 75.13 Favored 'General case' 0 C--N 1.32 -0.717 0 O-C-N 123.606 0.566 . . . . 0.67 111.81 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.92 -50.1 74.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.009 0.433 . . . . 1.55 110.529 175.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.764 ' O ' HD13 ' A' ' 104' ' ' LEU . 48.5 mm -59.73 -42.87 90.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.732 -0.667 . . . . 0.22 110.173 174.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.83 ' HG2' HD11 ' A' ' 60' ' ' LEU . 1.3 mtpt -49.01 -63.11 1.19 Allowed 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.43 0.633 . . . . 0.92 110.138 175.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.2 mtm -58.96 -44.29 91.44 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.552 -1.204 . . . . 1.41 112.076 -175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' ' 3' ' ' HIS . 62.3 m -54.48 -57.86 9.69 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.278 0.561 . . . . 0.27 110.87 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.764 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.9 mp -66.33 -50.62 62.97 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.224 -0.898 . . . . 1.03 109.622 -174.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -43.01 -50.73 5.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.845 -1.071 . . . . 1.72 112.101 -178.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.653 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 55.8 mt-30 -71.25 -51.74 22.87 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 119.379 -0.343 . . . . 2.21 111.77 -177.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 25' ' ' ALA . 71.2 mt -52.21 -47.91 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-O 121.395 0.617 . . . . 0.39 110.072 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.123 HG12 ' OH ' ' A' ' 111' ' ' TYR . 68.7 mt -55.74 -56.62 11.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 114.876 -1.056 . . . . 0.4 110.521 176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.9 m -60.19 -22.61 63.16 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.77 0.319 . . . . 1.32 111.28 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.653 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 85.8 mtt180 -68.55 -43.12 77.32 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.592 -0.276 . . . . 2.87 110.663 174.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 1.123 ' OH ' HG12 ' A' ' 108' ' ' ILE . 1.5 p90 -92.72 -14.83 27.44 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.299 0.571 . . . . 2.75 110.687 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.598 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 20.8 tttm -67.74 -49.46 62.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.991 -1.004 . . . . 1.63 109.581 175.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.44 -29.93 42.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.721 -1.127 . . . . 1.6 109.72 176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.96 17.25 6.31 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.162 -1.381 . . . . 1.33 111.476 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.623 -0.703 . . . . 2.23 109.708 175.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.655 0.264 . . . . 3.79 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.3 p -67.41 -37.14 82.61 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.673 0.62 . . . . 2.78 112.673 -175.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.57 -34.69 71.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.425 0.631 . . . . 3.58 109.924 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -81.24 -38.0 27.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.235 -0.893 . . . . 2.67 110.261 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.469 ' HA ' ' HB3' ' B' ' 29' ' ' LYS . 7.7 t70 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.079 -0.964 . . . . 2.16 111.235 -176.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -59.12 -24.35 62.9 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.416 -0.356 . . . . 1.84 111.885 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -92.9 -39.8 10.95 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 121.417 0.627 . . . . 2.39 109.516 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.469 ' HB3' ' HA ' ' B' ' 26' ' ' ASP . 80.2 tttt -64.05 -49.14 73.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.097 -0.956 . . . . 2.91 111.913 -177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.705 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 3.3 p-90 -66.89 -28.2 68.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.404 -0.362 . . . . 1.06 111.207 -173.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.432 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 0.9 OUTLIER -75.24 -45.04 42.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.246 0.546 . . . . 1.02 110.051 -177.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -67.39 -30.44 70.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.559 -0.746 . . . . 3.37 111.838 -177.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 14.0 p -75.61 -25.78 57.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.869 0.366 . . . . 1.9 110.915 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 14.5 mm-40 -72.86 -45.13 60.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.171 0.51 . . . . 2.32 109.729 174.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 34.8 mt-10 -64.51 -35.56 81.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.589 -0.732 . . . . 3.14 110.78 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 -29.53 68.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 2.58 110.95 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.17 -39.76 65.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.686 -0.487 . . . . 3.65 109.686 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -79.49 -56.29 4.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.131 -0.486 . . . . 3.22 111.101 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 73.4 mtm -89.77 71.82 7.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.918 0.39 . . . . 4.43 110.249 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.633 -1.093 . . . . 6.18 111.76 -179.603 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.478 0.604 0 N-CA-C 110.774 -0.51 . . . . 3.6 110.774 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 p -93.79 135.65 34.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.214 -0.448 . . . . 1.99 110.527 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.446 ' HA ' HG21 ' A' ' 103' ' ' THR . 57.8 m80 65.47 -8.09 0.29 Allowed 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.229 0.611 . . . . 0.61 112.642 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 17.5 p -154.45 165.15 37.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.48 0.657 . . . . 0.28 112.176 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.33 149.91 6.64 Favored Glycine 0 N--CA 1.439 -1.155 0 CA-C-N 114.466 -1.243 . . . . 0.15 110.597 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.17 114.45 5.92 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.306 0.574 . . . . 0.19 111.555 -174.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.28 177.24 5.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.16 110.049 -176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.622 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.5 mp -131.18 136.7 57.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 110.214 -0.291 . . . . 0.36 110.214 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 65.3 t80 -150.23 136.27 18.6 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.729 -0.841 . . . . 0.39 108.729 -177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.8 mt-10 63.89 31.94 13.58 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.504 0.669 . . . . 1.33 110.87 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt 64.35 5.07 2.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.616 -1.175 . . . . 2.23 113.12 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -107.0 149.03 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.873 -0.788 . . . . 0.26 108.873 171.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.622 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 m -92.94 151.0 20.19 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 116.077 -0.511 . . . . 1.29 111.837 -177.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -167.71 -151.56 7.07 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.714 -0.675 . . . . 0.17 111.804 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.21 146.18 27.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.15 -0.685 . . . . 0.18 109.15 172.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.47 130.45 49.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.252 -1.388 . . . . 0.17 107.252 170.237 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.65 111.0 7.03 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.07 0.396 . . . . 0.15 112.07 -170.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.647 HD11 HD11 ' A' ' 104' ' ' LEU . 3.5 mp -94.6 127.7 46.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 121.004 0.431 . . . . 0.23 110.125 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -116.91 130.86 56.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.653 -0.703 . . . . 1.36 110.359 -175.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -124.56 72.72 1.22 Allowed 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 108.174 -1.047 . . . . 1.47 108.174 168.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -112.93 -21.63 11.03 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 123.21 1.481 . . . . 3.67 108.348 165.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 23' ' ' SER . 17.0 m -107.46 -168.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 111.832 -2.44 . . . . 0.9 111.859 -160.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.53 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 44.1 p -72.64 169.27 17.82 Favored Pre-proline 0 C--N 1.314 -0.958 0 N-CA-C 105.686 -1.968 . . . . 1.23 105.686 173.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.53 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 50.1 Cg_exo -34.61 126.67 0.21 Allowed 'Trans proline' 0 C--N 1.358 1.026 0 C-N-CA 122.607 2.204 . . . . 0.56 113.649 -148.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.658 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.18 132.76 1.33 Allowed 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 125.096 1.498 . . . . 0.27 112.33 -166.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -118.08 146.57 44.01 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.31 0.576 . . . . 0.69 110.286 -174.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.685 HD13 HD21 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -103.53 128.33 50.77 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.059 -0.973 . . . . 0.59 108.841 178.649 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.471 ' CG2' HG13 ' A' ' 37' ' ' VAL . 5.0 m -119.25 107.62 13.64 Favored 'General case' 0 C--N 1.297 -1.69 0 C-N-CA 120.666 -0.414 . . . . 0.22 110.917 -174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.531 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.2 t90 -88.46 119.13 28.61 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.902 -1.148 . . . . 0.22 107.902 168.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.714 ' CB ' HG22 ' A' ' 37' ' ' VAL . 17.9 ptt180 -129.34 128.17 42.56 Favored 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 115.873 -0.603 . . . . 1.93 110.096 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.494 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 79.9 p -62.79 149.4 44.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.446 -0.797 . . . . 0.27 110.549 -173.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 HG23 ' HA2' ' A' ' 14' ' ' GLY . 16.5 p -59.48 -29.1 67.59 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.046 -0.525 . . . . 0.97 111.648 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.484 ' OD2' ' HB3' ' A' ' 35' ' ' ASP . 1.8 p-10 -71.33 -19.25 62.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.527 . . . . 2.57 111.349 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.81 6.69 69.55 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.957 -0.64 . . . . 1.07 113.117 173.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' HB3' ' OD2' ' A' ' 33' ' ' ASP . 5.9 t70 -88.8 -50.95 5.91 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.929 0.395 . . . . 2.64 111.101 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.571 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 9.8 mttp -88.61 126.8 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.0 -0.546 . . . . 1.2 111.571 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.714 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.5 t -138.41 125.23 26.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.738 -0.838 . . . . 0.83 108.738 175.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' THR . 19.2 m-70 -128.4 117.22 21.01 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.784 -0.451 . . . . 0.33 109.784 -178.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.47 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -105.71 116.33 31.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.728 0.775 . . . . 0.32 112.046 -173.439 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -102.01 102.57 13.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 114.685 -1.143 . . . . 0.23 110.3 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -70.43 118.11 14.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 175.092 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.2 mt -64.2 -17.41 63.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.02 -0.991 . . . . 1.24 113.368 -167.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.405 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 20.0 t -71.4 -9.23 57.83 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.045 -0.262 . . . . 1.08 111.193 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.6 p -100.69 3.14 42.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.059 0.457 . . . . 0.36 110.467 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.498 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 36.7 mm -100.05 145.24 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 115.823 -0.626 . . . . 0.36 111.916 -177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.428 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 15.7 t70 -103.32 -48.82 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.419 -0.81 . . . . 0.7 111.123 -178.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.607 ' HB3' HG13 ' A' ' 63' ' ' ILE . 0.2 OUTLIER -136.67 172.81 12.45 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 1.56 109.979 -174.603 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD22 HD12 ' A' ' 108' ' ' ILE . 1.7 pt? -145.17 150.38 36.65 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 116.051 -0.522 . . . . 1.37 109.6 166.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 56.9 mt-30 -126.24 148.14 49.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.991 -0.374 . . . . 2.28 109.991 -177.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.43 134.86 24.54 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.43 110.198 -175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.0 p -67.36 151.99 96.61 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.297 -0.411 . . . . 0.55 111.754 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -67.02 145.87 75.21 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 123.273 2.649 . . . . 1.1 112.187 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.73 -13.84 62.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.949 -0.569 . . . . 1.58 111.153 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.0 p -71.49 -31.79 67.51 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.274 0.559 . . . . 1.55 110.033 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 t -78.48 158.5 28.61 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.638 -0.71 . . . . 1.32 109.902 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.81 -39.43 35.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.075 -0.511 . . . . 2.37 109.837 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -67.1 127.63 33.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.073 -0.967 . . . . 2.29 112.09 -171.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.612 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.0 OUTLIER -102.7 113.08 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.244 -0.889 . . . . 1.13 110.431 179.488 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.441 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 5.5 tpp -141.12 139.01 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.63 111.498 -174.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD11 ' HG2' ' A' ' 101' ' ' LYS . 2.2 mm? -121.08 154.9 35.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.845 -0.616 . . . . 0.48 109.609 170.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 80.6 mtt180 -126.09 150.58 48.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.168 -0.469 . . . . 2.37 111.068 171.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.769 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.1 mm? -111.17 114.46 27.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.354 -0.98 . . . . 0.7 108.354 168.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.607 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -99.11 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 109.586 -0.524 . . . . 0.41 109.586 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.581 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -68.75 156.32 53.4 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.127 -1.035 . . . . 0.37 112.812 -176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 23.6 mtpt -74.28 147.43 42.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.266 0.555 . . . . 1.16 111.187 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 24.4 m -115.23 147.08 18.87 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.003 -0.999 . . . . 1.48 109.034 174.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -74.85 115.27 14.26 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.11 0.481 . . . . 4.14 110.001 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.67 -29.48 64.64 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.594 -0.73 . . . . 4.61 112.357 -175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.2 m -91.59 -27.43 18.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.688 0.625 . . . . 4.68 112.688 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.4 mttt -67.14 -33.7 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.758 -0.377 . . . . 6.99 111.67 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' HE2' ' CG2' ' A' ' 80' ' ' VAL . 39.1 tttt -92.75 158.31 15.97 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.368 -0.533 . . . . 8.2 110.343 177.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.587 ' H ' ' HD3' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -130.21 170.3 14.27 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.159 -0.928 . . . . 10.67 110.235 -174.459 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 9.7 mtmp? -69.28 167.27 16.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.33 0.586 . . . . 8.97 111.233 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.445 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 3.3 t70 -104.03 -162.99 0.94 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.418 -0.81 . . . . 8.74 110.916 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -66.19 -32.52 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.297 0.481 . . . . 11.37 112.297 -173.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -104.94 16.06 26.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.521 0.677 . . . . 11.2 109.463 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 89.72 -61.7 3.43 Favored Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 108.457 -1.857 . . . . 8.81 108.457 -171.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.445 ' OD1' ' HB3' ' A' ' 74' ' ' ASP . 16.5 m120 54.9 -38.87 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.74 1.756 . . . . 8.6 115.74 177.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 11.9 pt-20 44.42 59.6 3.22 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.149 0.976 . . . . 8.38 110.548 -172.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' CG2' ' HE2' ' A' ' 71' ' ' LYS . 1.8 m -77.14 148.19 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 114.961 -1.018 . . . . 5.39 109.728 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 p -110.88 129.97 23.41 Favored Pre-proline 0 C--N 1.31 -1.134 0 N-CA-C 109.466 -0.568 . . . . 4.27 109.466 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.42 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 34.3 Cg_endo -67.01 132.35 27.87 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.189 1.926 . . . . 2.92 110.987 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.493 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 44.3 mmtm -60.81 118.57 36.32 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 121.479 0.657 . . . . 4.42 111.046 -177.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.581 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 32.2 Cg_exo -63.34 137.46 60.66 Favored 'Trans proline' 0 C--N 1.326 -0.645 0 C-N-CA 123.828 3.019 . . . . 0.94 111.782 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -69.9 115.01 8.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.164 -0.68 . . . . 2.01 109.164 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HG2' HD13 ' A' ' 63' ' ' ILE . 97.3 mtt180 -103.27 162.99 12.53 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.859 0.838 . . . . 2.24 112.551 -174.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 83.0 m-70 -136.05 127.61 28.78 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 113.927 -1.488 . . . . 0.6 108.103 179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 25.0 ttm -118.54 136.98 53.54 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.044 -0.662 . . . . 0.73 111.628 -176.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' CE2' HD23 ' A' ' 62' ' ' LEU . 3.2 m-85 -128.7 129.96 46.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.316 -0.856 . . . . 0.94 111.606 -175.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 14.4 t -100.44 129.21 46.37 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.29 -0.414 . . . . 1.3 110.012 174.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.5 m-85 -109.69 179.77 4.03 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.463 -0.569 . . . . 0.32 109.463 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -120.2 20.88 11.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.87 -0.605 . . . . 1.17 111.252 -179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.641 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.3 t-20 -166.92 138.34 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.597 0.237 . . . . 1.62 110.54 -178.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.504 ' O ' ' HB2' ' A' ' 97' ' ' MET . 0.0 OUTLIER -80.03 -24.1 41.01 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.981 0.363 . . . . 3.68 111.981 -176.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.641 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 19.2 m -64.56 -44.57 90.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.357 -0.609 . . . . 0.5 109.357 172.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 91' ' ' PHE . 54.3 t -51.78 -53.18 18.29 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 115.716 -0.674 . . . . 0.27 109.985 169.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.612 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.1 mtp -43.5 -64.99 0.55 Allowed 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.603 0.565 . . . . 0.84 112.297 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 101' ' ' LYS . 38.9 t70 -55.29 -35.33 64.95 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.734 0.302 . . . . 0.67 111.615 -174.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -69.36 -57.4 5.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.276 -0.42 . . . . 1.55 110.902 178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.784 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.3 mm -56.44 -46.01 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.012 -0.366 . . . . 0.22 110.012 176.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.525 ' HG2' HD11 ' A' ' 60' ' ' LEU . 39.0 mtpt -47.08 -63.75 0.96 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.432 0.634 . . . . 0.92 110.685 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.5 mtm -58.43 -49.82 75.91 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.6 -1.182 . . . . 1.41 112.01 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 3' ' ' HIS . 93.8 m -49.84 -52.11 34.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.144 0.497 . . . . 0.27 111.106 -178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.784 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -70.88 -53.38 15.36 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.507 -0.77 . . . . 1.03 109.683 -176.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.512 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -49.4 -48.87 46.81 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.43 -0.805 . . . . 1.72 111.978 -176.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 56.3 mt-30 -64.15 -45.99 86.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.782 -0.19 . . . . 2.21 111.313 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.658 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.3 mt -65.21 -42.98 95.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.76 0.314 . . . . 0.39 110.374 178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.534 HD12 HD22 ' A' ' 48' ' ' LEU . 96.4 mt -57.58 -44.95 86.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.4 109.889 174.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 112' ' ' LYS . 32.2 t -59.84 -34.33 72.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.756 -0.656 . . . . 1.32 110.725 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.7 mtt180 -60.8 -38.36 85.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.801 0.334 . . . . 2.87 110.864 177.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.499 ' CE2' HG22 ' A' ' 107' ' ' ILE . 23.1 m-85 -86.97 -16.55 35.46 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.257 0.551 . . . . 2.75 110.123 -178.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 109' ' ' SER . 37.2 mttm -70.97 -43.4 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.47 -0.786 . . . . 1.63 110.316 173.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -81.78 -33.98 30.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.809 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.54 18.52 8.89 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.309 -1.314 . . . . 1.33 112.074 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.8 t70 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.575 -0.726 . . . . 2.23 110.112 178.048 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 111.388 0.144 . . . . 3.79 111.388 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.6 p -74.37 -55.68 5.72 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 111.926 0.343 . . . . 2.78 111.926 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -69.27 -27.63 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.783 -0.451 . . . . 3.58 109.783 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.97 -42.37 94.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.564 -0.744 . . . . 2.67 109.958 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HD1' ' B' ' 30' ' ' TRP . 18.8 t70 -65.83 -36.08 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.377 -0.829 . . . . 2.16 110.346 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.736 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 21.8 m-85 -64.32 -23.35 67.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.881 -0.599 . . . . 1.84 111.909 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.2 mp -85.01 -28.92 25.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.837 0.351 . . . . 2.39 110.206 174.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -74.94 -48.0 26.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.167 -0.469 . . . . 2.91 111.599 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.736 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 23.6 p-90 -73.38 -16.26 61.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.124 0.487 . . . . 1.06 110.407 -178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.484 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.8 t-105 -87.36 -48.77 7.71 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.748 -0.66 . . . . 1.02 110.63 -178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -78.06 -25.97 47.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 3.37 111.094 -171.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.5 p -62.1 -34.68 76.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.312 0.577 . . . . 1.9 109.944 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -77.11 -34.2 56.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.63 -0.714 . . . . 2.32 110.689 176.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 44.6 mt-10 -66.9 -42.4 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 3.14 110.653 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.57 -20.28 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 2.58 112.057 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -65.1 -39.55 93.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.964 0.412 . . . . 3.65 110.672 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -98.48 -48.25 5.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.066 -0.515 . . . . 3.22 110.292 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 85.7 mmm -89.49 69.01 7.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.794 -0.639 . . . . 4.43 109.966 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.138 0 CA-C-O 118.126 -1.375 . . . . 6.18 111.287 -179.159 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.491 0 N-CA-C 110.692 -0.542 . . . . 3.6 110.692 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p 55.0 -165.84 0.1 Allowed 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.829 0.852 . . . . 1.99 112.213 178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.492 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.3 m80 76.03 -32.72 0.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.321 0.86 . . . . 0.61 113.321 174.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.624 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 35.5 p -141.99 162.93 34.24 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 113.232 0.827 . . . . 0.28 113.232 -176.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.64 152.84 7.34 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 114.057 -1.429 . . . . 0.15 110.972 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.98 116.97 8.4 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.324 0.583 . . . . 0.19 112.512 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.781 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.32 176.13 7.33 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 114.901 -1.045 . . . . 0.16 110.037 -178.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -131.25 137.25 56.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 120.555 0.217 . . . . 0.36 110.701 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 42.5 t80 -150.27 132.93 15.84 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.099 -0.704 . . . . 0.39 109.099 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 55.0 mt-10 63.11 40.68 8.81 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.126 0.489 . . . . 1.33 111.766 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 2.7 mptp? 62.68 5.29 1.66 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.94 -1.027 . . . . 2.23 113.416 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -113.68 148.4 16.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.375 -0.602 . . . . 0.26 109.375 173.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 12.7 t -97.2 156.01 16.6 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.791 -0.64 . . . . 1.29 111.519 -176.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.4 -149.27 7.49 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.428 -0.805 . . . . 0.17 112.698 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -122.04 143.08 35.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.622 -0.51 . . . . 0.18 109.622 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.624 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.11 134.11 40.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 N-CA-C 107.235 -1.395 . . . . 0.17 107.235 172.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.63 107.92 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.888 0.375 . . . . 0.15 111.752 -171.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.7 mp -87.27 122.29 38.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.07 0.462 . . . . 0.23 109.829 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -110.72 128.86 55.89 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.514 -0.766 . . . . 1.36 110.95 -175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -122.97 72.32 1.09 Allowed 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 107.736 -1.209 . . . . 1.47 107.736 167.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -111.34 -23.4 10.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 123.076 1.417 . . . . 3.67 108.335 167.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 m -107.66 -169.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 112.075 -2.329 . . . . 0.9 111.745 -163.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.78 170.66 13.43 Favored Pre-proline 0 C--N 1.314 -0.947 0 N-CA-C 104.823 -2.288 . . . . 1.23 104.823 172.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -31.88 126.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 122.919 2.413 . . . . 0.56 114.09 -147.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.636 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.4 139.22 0.79 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 113.381 -1.736 . . . . 0.27 112.349 -166.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.2 mt-10 -114.09 151.47 32.51 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 116.111 -0.495 . . . . 0.69 110.036 -176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.4 OUTLIER -104.44 128.41 52.33 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 107.88 -1.156 . . . . 0.59 107.88 170.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 m -124.04 107.72 11.6 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.126 -0.488 . . . . 0.22 110.661 -172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.9 t90 -92.15 124.24 36.09 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.948 -0.76 . . . . 0.22 108.948 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.778 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 3.0 ptt180 -128.1 123.64 35.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.922 -0.581 . . . . 1.93 110.545 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 62.1 p -58.66 143.19 47.42 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.451 0.643 . . . . 0.27 111.267 -176.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.489 ' N ' ' HA2' ' A' ' 14' ' ' GLY . 5.8 t -78.64 -7.49 57.7 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 122.642 1.21 . . . . 0.97 107.783 175.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.69 21.28 1.56 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.219 -1.809 . . . . 2.57 112.9 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.72 23.91 5.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.847 -1.168 . . . . 1.07 113.776 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 t70 71.9 66.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.036 0.922 . . . . 2.64 112.76 165.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.778 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 33.3 tttp -90.43 118.06 29.62 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.586 -1.264 . . . . 1.2 107.586 165.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.74 HG22 ' HB3' ' A' ' 30' ' ' ARG . 16.4 t -112.85 130.3 66.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 CA-C-O 121.315 0.579 . . . . 0.83 111.735 -167.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.681 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.7 m-70 -131.95 121.35 23.83 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.331 -0.988 . . . . 0.33 108.331 175.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.421 HG22 ' HB3' ' A' ' 26' ' ' GLU . 1.5 m -111.23 134.8 52.55 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.286 0.565 . . . . 0.32 111.718 -170.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 38.8 t -122.34 104.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.261 -0.881 . . . . 0.23 111.079 -175.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.53 115.72 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 109.253 -0.647 . . . . 0.63 109.253 175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD21 HD22 ' A' ' 104' ' ' LEU . 30.3 mt -65.25 -21.27 66.72 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 113.89 1.07 . . . . 1.24 113.89 -169.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.3 p -67.69 -18.28 64.87 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.08 111.012 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.6 p -97.56 8.97 43.66 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.36 110.332 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.462 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.6 mm -104.45 138.47 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 CA-C-N 116.058 -0.519 . . . . 0.36 110.139 177.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -98.94 -45.64 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.002 0.43 . . . . 0.7 110.834 -176.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.661 ' HB3' HG13 ' A' ' 63' ' ' ILE . 6.1 mmtt -133.78 175.34 9.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.403 0.621 . . . . 1.56 110.547 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.1 134.39 21.79 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.077 -0.965 . . . . 1.37 109.36 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 51.7 mt-30 -123.78 139.82 53.6 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.85 -0.614 . . . . 2.28 110.453 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 101' ' ' LYS . . . -138.98 154.41 48.28 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.449 -0.341 . . . . 0.43 110.463 -177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 p -72.0 134.03 83.54 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 120.97 0.414 . . . . 0.55 111.743 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.15 153.98 48.88 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 123.271 2.647 . . . . 1.1 112.315 177.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.597 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -70.02 -15.48 63.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.775 -0.648 . . . . 1.58 111.83 -175.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.6 p -79.75 -9.29 59.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.079 -0.51 . . . . 1.55 111.055 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.3 t -112.35 134.51 53.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.402 -0.592 . . . . 1.32 109.402 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.5 -43.97 96.47 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.073 -0.512 . . . . 2.37 111.43 177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -60.63 143.0 54.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.716 -0.675 . . . . 2.29 111.164 -170.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.47 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 23.2 mtm -118.67 112.98 20.5 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.663 -0.698 . . . . 1.13 110.951 -171.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.404 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 4.4 tpp -140.91 142.28 34.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.593 -0.731 . . . . 0.63 111.214 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.679 HD11 ' HG3' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -123.93 143.57 50.3 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.695 -0.684 . . . . 0.48 109.427 168.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.567 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 60.4 mtt180 -119.98 146.05 46.21 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-N 115.639 -0.71 . . . . 2.37 110.965 175.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.2 mm? -109.65 107.51 17.58 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 114.452 -1.249 . . . . 0.7 108.083 172.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 ' HB3' ' A' ' 47' ' ' LYS . 8.8 mm -88.89 99.19 8.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 N-CA-C 108.733 -0.84 . . . . 0.41 108.733 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -68.27 152.29 52.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.234 -0.984 . . . . 0.37 112.953 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -72.55 154.1 40.97 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 121.729 0.776 . . . . 1.16 112.022 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 11.4 m -118.54 138.08 50.42 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 114.27 -1.332 . . . . 1.48 110.676 178.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -92.04 78.26 5.29 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 122.009 0.909 . . . . 4.14 108.829 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -77.15 -27.04 53.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.981 -1.008 . . . . 4.61 110.777 -173.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.8 p -83.67 -5.89 59.3 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.17 -0.923 . . . . 4.68 110.977 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -110.73 -21.09 12.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 6.99 111.025 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.3 mptt -67.74 159.32 30.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.561 0.696 . . . . 8.2 111.152 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 -130.87 167.96 18.08 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.702 -1.135 . . . . 10.67 111.03 -171.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HB3' ' CG ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.87 150.76 32.13 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.861 -0.609 . . . . 8.97 110.745 176.512 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.59 ' HB3' ' OD1' ' A' ' 78' ' ' ASN . 5.8 t70 -94.72 -158.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.838 -0.619 . . . . 8.74 110.714 -174.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -55.25 -32.58 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.79 1.033 . . . . 11.37 113.79 -168.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.52 ' HG2' ' OD1' ' A' ' 78' ' ' ASN . 11.4 pt-20 -109.28 21.33 17.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 11.2 111.069 -174.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.18 29.63 75.3 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.022 -0.831 . . . . 8.81 111.022 -174.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.59 ' OD1' ' HB3' ' A' ' 74' ' ' ASP . 12.3 m120 -40.01 -46.98 2.19 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 114.158 -1.021 . . . . 8.6 112.841 177.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' A' ' 73' ' ' LYS . 48.0 mt-10 55.73 72.35 0.49 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.216 0.531 . . . . 8.38 109.735 -174.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.54 136.46 26.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.877 -0.601 . . . . 5.39 111.392 -172.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.2 p -90.43 125.65 59.12 Favored Pre-proline 0 N--CA 1.443 -0.813 0 N-CA-C 109.084 -0.71 . . . . 4.27 109.084 170.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.493 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 36.9 Cg_endo -66.91 131.58 25.95 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.365 2.043 . . . . 2.92 112.908 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 99.6 mttt -87.27 127.22 59.81 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.417 -0.81 . . . . 4.42 109.807 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 65.0 Cg_exo -54.33 131.63 46.23 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.75 2.967 . . . . 0.94 112.618 -175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -81.51 115.68 20.93 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.841 -0.618 . . . . 2.01 109.426 178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.531 ' HG2' HD13 ' A' ' 63' ' ' ILE . 49.8 mtt85 -97.36 150.36 21.07 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-O 121.846 0.831 . . . . 2.24 112.205 -175.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.603 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 55.7 m-70 -123.29 126.22 46.49 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 113.985 -1.461 . . . . 0.6 108.15 177.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.8 ttm -116.39 130.08 56.58 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.211 -0.595 . . . . 0.73 111.349 -175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -125.22 138.75 54.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.845 -0.616 . . . . 0.94 110.143 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.549 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 5.2 t -110.65 134.23 52.62 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-N 116.42 -0.355 . . . . 1.3 110.963 -177.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.781 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 53.1 m-85 -113.84 177.28 4.69 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.168 0.509 . . . . 0.32 109.802 173.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -134.72 21.65 3.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.52 -0.764 . . . . 1.17 110.278 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -140.46 125.01 17.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.753 -0.832 . . . . 1.62 108.753 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.597 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 10.6 tpt180 -70.61 -39.32 73.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 3.68 111.469 -168.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.5 m -61.51 -46.5 89.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.335 -0.393 . . . . 0.5 110.234 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 100' ' ' ILE . 35.2 t -47.73 -60.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.74 -0.664 . . . . 0.27 111.55 174.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.693 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.2 ptm -58.83 -48.71 80.37 Favored 'General case' 0 C--O 1.213 -0.829 0 C-N-CA 120.359 -0.536 . . . . 0.84 111.538 -174.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.693 ' N ' ' HG3' ' A' ' 97' ' ' MET . 35.3 t70 -59.18 -36.65 75.71 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.837 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -75.28 -49.17 20.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 1.55 110.321 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 96' ' ' VAL . 46.2 mm -54.94 -44.29 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 CA-C-O 121.255 0.55 . . . . 0.22 109.61 172.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.679 ' HG3' HD11 ' A' ' 60' ' ' LEU . 19.5 ttmt -47.34 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.527 -1.215 . . . . 0.92 110.34 176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -58.49 -47.65 83.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.505 -1.225 . . . . 1.41 111.76 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.492 HG21 ' HA ' ' A' ' 3' ' ' HIS . 99.4 m -49.75 -50.97 42.36 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.531 0.52 . . . . 0.27 110.948 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 27' ' ' LEU . 40.5 mt -69.55 -55.75 9.27 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.804 -0.634 . . . . 1.03 111.035 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -50.49 -46.98 57.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.635 -1.166 . . . . 1.72 111.86 -176.45 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.487 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 82.7 mm-40 -68.92 -42.54 76.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 2.21 111.777 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.636 HG21 ' HB3' ' A' ' 25' ' ' ALA . 73.1 mt -62.98 -40.79 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.735 -0.386 . . . . 0.39 110.038 177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 70.3 mt -56.16 -47.67 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.502 . . . . 0.4 110.148 173.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.1 t -63.07 -31.69 72.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.644 -0.707 . . . . 1.32 110.986 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.6 mtt180 -63.3 -37.35 86.91 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.929 0.395 . . . . 2.87 110.725 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.448 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.8 m-85 -85.59 -15.63 41.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 2.75 110.02 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -76.35 -45.48 31.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.626 -0.715 . . . . 1.63 110.881 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -75.79 -39.54 56.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.285 0.564 . . . . 1.6 110.18 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.32 24.08 4.83 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 114.357 -1.292 . . . . 1.33 113.193 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.499 -0.762 . . . . 2.23 110.587 -178.393 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.565 0.221 . . . . 3.79 111.336 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 13.4 p -68.41 -53.22 25.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.534 -0.303 . . . . 2.78 111.626 -175.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -66.08 -27.68 68.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.284 0.564 . . . . 3.58 110.331 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.53 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 20.5 m-20 -72.1 -28.28 63.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.503 -0.771 . . . . 2.67 110.22 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.74 -39.3 93.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.0 -0.545 . . . . 2.16 109.716 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.794 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 61.6 m-85 -65.55 -33.57 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.745 -0.661 . . . . 1.84 112.246 -176.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -78.79 -26.63 44.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.267 -0.573 . . . . 2.39 110.833 -178.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -86.94 -45.48 10.77 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.828 -0.349 . . . . 2.91 111.781 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.794 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 12.5 p-90 -65.53 -30.7 71.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.365 -0.534 . . . . 1.06 110.154 -176.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.404 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 2.2 t-105 -61.18 -46.1 91.87 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.229 0.537 . . . . 1.02 109.676 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -73.64 -41.46 62.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.535 -0.757 . . . . 3.37 110.934 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.437 ' OG ' ' HA ' ' B' ' 30' ' ' TRP . 29.1 p -67.73 -34.61 77.2 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.786 0.327 . . . . 1.9 110.925 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -69.52 -45.45 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.971 0.415 . . . . 2.32 110.007 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.28 -35.02 78.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.8 -0.636 . . . . 3.14 111.583 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.19 -31.59 71.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.476 -0.329 . . . . 2.58 111.427 -178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -74.41 -30.13 61.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.033 -0.53 . . . . 3.65 110.773 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -83.0 -51.74 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.909 -0.587 . . . . 3.22 110.587 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.17 82.57 0.17 Allowed 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.734 0.647 . . . . 4.43 110.485 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.202 0 CA-C-O 118.628 -1.096 . . . . 6.18 111.457 178.036 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.478 0.578 0 N-CA-C 110.547 -0.597 . . . . 3.6 110.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -175.4 171.58 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.55 -0.537 . . . . 1.99 109.55 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.636 ' HA ' HG21 ' A' ' 103' ' ' THR . 71.0 m80 70.92 -23.57 0.17 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 113.652 0.982 . . . . 0.61 113.652 173.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 10.7 p -148.92 160.14 43.54 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 113.051 0.76 . . . . 0.28 113.051 -174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.49 153.44 9.66 Favored Glycine 0 N--CA 1.441 -1.012 0 CA-C-N 114.0 -1.454 . . . . 0.15 110.27 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.38 115.0 6.53 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.289 0.566 . . . . 0.19 111.95 -173.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.776 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.97 175.5 6.91 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.026 -0.988 . . . . 0.16 110.181 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.2 138.71 52.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 110.175 -0.306 . . . . 0.36 110.175 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.624 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.9 t80 -148.83 127.13 12.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.198 -0.667 . . . . 0.39 109.198 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.624 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.0 mt-10 67.49 40.7 2.55 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.219 0.533 . . . . 1.33 110.91 -177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 65.79 -7.87 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.727 -1.124 . . . . 2.23 113.407 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -98.91 146.21 8.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.599 -0.519 . . . . 0.26 109.599 175.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 25.3 t -97.24 156.82 16.25 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 115.399 -0.818 . . . . 1.29 111.691 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.47 -145.07 5.47 Favored Glycine 0 N--CA 1.442 -0.908 0 CA-C-N 114.74 -1.118 . . . . 0.17 111.475 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.61 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.26 145.16 33.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.952 -0.388 . . . . 0.18 109.952 176.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.578 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.1 132.72 45.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 107.243 -1.392 . . . . 0.17 107.243 170.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.52 111.16 6.83 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.811 0.339 . . . . 0.15 111.709 -171.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -89.99 124.25 42.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.367 0.603 . . . . 0.23 110.581 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -106.89 125.98 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.86 -1.064 . . . . 1.36 110.626 -173.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.455 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 31.9 mt-10 -124.22 73.52 1.24 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 119.818 -0.753 . . . . 1.47 108.992 168.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -112.73 -22.69 10.59 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 122.984 1.374 . . . . 3.67 108.436 162.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -106.49 -170.08 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-N 112.104 -2.316 . . . . 0.9 111.871 -160.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.507 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 27.4 p -74.22 170.62 14.01 Favored Pre-proline 0 C--N 1.314 -0.962 0 N-CA-C 105.773 -1.936 . . . . 1.23 105.773 173.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.572 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -33.73 126.49 0.16 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.715 2.277 . . . . 0.56 113.848 -145.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -40.67 133.16 2.07 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 113.864 -1.516 . . . . 0.27 112.105 -166.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.92 149.22 39.06 Favored 'General case' 0 C--N 1.308 -1.203 0 CA-C-O 121.339 0.59 . . . . 0.69 110.361 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD12 HD11 ' A' ' 18' ' ' ILE . 1.2 tt -103.1 129.38 49.92 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.12 -0.945 . . . . 0.59 108.886 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -122.0 107.41 12.2 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-N 116.199 -0.455 . . . . 0.22 111.019 -171.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 83.1 t90 -91.85 124.49 36.01 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 119.818 -0.753 . . . . 0.22 108.979 172.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.825 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.8 OUTLIER -128.45 133.95 48.64 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.602 -0.726 . . . . 1.93 109.776 176.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 94.5 p -62.2 164.05 7.45 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 123.557 0.536 . . . . 0.27 110.966 -175.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.9 p -57.31 -32.66 66.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.982 0.42 . . . . 0.97 111.119 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.52 -30.52 70.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.104 0.478 . . . . 2.57 110.584 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.69 2.1 58.66 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.783 -0.644 . . . . 1.07 112.53 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -86.87 -55.86 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.717 0.294 . . . . 2.64 111.766 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.756 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 18.4 tttt -72.38 118.63 15.52 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.621 -0.511 . . . . 1.2 109.621 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.825 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.5 t -132.16 132.55 60.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 115.771 -0.649 . . . . 0.83 109.439 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.648 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.9 m-70 -132.53 121.17 22.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.736 -0.838 . . . . 0.33 108.736 177.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.5 m -111.66 119.37 38.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.576 0.703 . . . . 0.32 112.14 -170.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.6 t -106.59 102.16 13.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 114.693 -1.139 . . . . 0.23 110.714 -177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.3 OUTLIER -71.92 118.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.487 0.66 . . . . 0.63 109.413 175.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.64 -14.32 57.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.717 -1.129 . . . . 1.24 113.137 -169.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.572 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 23.1 t -66.13 -23.42 66.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.945 0.402 . . . . 1.08 110.95 177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.2 p -93.01 -3.42 54.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.55 0.691 . . . . 0.36 110.042 -177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.4 mm -94.74 136.87 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 114.966 -1.015 . . . . 0.36 110.186 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -92.66 -50.06 5.78 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.926 -0.398 . . . . 0.7 109.926 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 63' ' ' ILE . 47.4 tptt -134.32 167.78 20.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.426 0.631 . . . . 1.56 110.593 -176.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.625 HD11 ' HA ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -143.26 152.61 41.9 Favored 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 108.439 -0.948 . . . . 1.37 108.439 166.574 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -155.67 148.8 24.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.739 -0.664 . . . . 2.28 110.277 -170.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.593 ' HB1' ' CE ' ' A' ' 97' ' ' MET . . . -111.9 167.57 10.27 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 116.475 -0.33 . . . . 0.43 110.322 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.4 p -59.44 151.13 61.66 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 0.55 111.53 179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.529 ' HG2' ' OG ' ' A' ' 55' ' ' SER . 7.9 Cg_endo -53.84 148.27 38.11 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.565 . . . . 1.1 111.907 174.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.22 -19.33 64.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.826 -0.624 . . . . 1.58 111.681 -175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 p -78.12 -20.95 51.12 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.25 -0.432 . . . . 1.55 111.045 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.529 ' OG ' ' HG2' ' A' ' 52' ' ' PRO . 50.6 m -83.36 150.48 26.07 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.991 -0.55 . . . . 1.32 111.453 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 37.7 tt0 -88.98 -37.4 15.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.495 -0.775 . . . . 2.37 110.924 175.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -67.26 138.97 57.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.31 0.576 . . . . 2.29 111.035 -174.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.606 ' HB3' ' SD ' ' A' ' 97' ' ' MET . 1.3 mpt? -103.04 124.67 48.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.621 -0.718 . . . . 1.13 110.711 -173.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.55 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -153.39 139.76 18.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.733 -0.667 . . . . 0.63 111.289 -176.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.7 OUTLIER -112.75 142.44 45.38 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.466 -0.568 . . . . 0.48 109.466 168.429 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HG2' ' HG2' ' A' ' 88' ' ' MET . 65.4 mtm180 -105.34 144.55 31.97 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.74 -0.664 . . . . 2.37 111.492 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.3 mm? -113.12 103.66 11.58 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.715 -1.13 . . . . 0.7 109.138 170.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.98 100.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 110.133 -0.321 . . . . 0.41 110.133 -175.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.518 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -72.62 150.67 45.21 Favored Glycine 0 C--N 1.319 -0.388 0 C-N-CA 120.206 -0.997 . . . . 0.37 111.955 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -65.39 157.97 27.87 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 121.98 0.895 . . . . 1.16 111.87 -177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 27.3 m -118.9 135.83 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 CA-C-N 114.27 -1.332 . . . . 1.48 110.616 175.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -103.19 111.21 23.47 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.693 -0.855 . . . . 4.14 108.693 170.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -69.63 -25.61 64.02 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.382 -0.372 . . . . 4.61 111.868 -173.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 p -91.94 -40.03 11.37 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.683 0.623 . . . . 4.68 112.683 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -88.26 -30.49 19.62 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 112.07 0.396 . . . . 6.99 112.07 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -72.98 160.76 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.476 0.655 . . . . 8.2 112.069 -171.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -56.65 147.55 22.28 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.258 -1.337 . . . . 10.67 112.891 -173.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.5 mtmt -83.96 170.27 14.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.531 -1.213 . . . . 8.97 110.847 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 21.9 t70 -61.36 170.0 1.97 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.28 -0.873 . . . . 8.74 110.395 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -60.6 -26.27 66.86 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.643 0.656 . . . . 11.37 111.42 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -94.76 13.49 24.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.95 0.405 . . . . 11.2 110.831 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.88 41.42 82.58 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.949 -0.569 . . . . 8.81 112.903 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 62.2 m-80 -89.1 131.59 35.18 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.846 -0.798 . . . . 8.6 108.846 175.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -71.57 70.38 0.66 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 122.071 0.939 . . . . 8.38 110.67 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.2 m -90.25 149.7 3.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 114.679 -1.146 . . . . 5.39 111.057 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.7 p -82.15 115.9 60.37 Favored Pre-proline 0 N--CA 1.442 -0.864 0 N-CA-C 108.317 -0.994 . . . . 4.27 108.317 168.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.83 144.59 24.61 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.688 2.259 . . . . 2.92 113.005 -168.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 68.1 mttm -61.82 128.38 90.37 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.72 -0.673 . . . . 4.42 109.463 174.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 45.1 Cg_exo -58.54 126.48 21.46 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.261 2.64 . . . . 0.94 112.421 -175.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -76.78 118.38 19.34 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.683 -0.69 . . . . 2.01 109.485 -178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.584 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 4.0 ptt-85 -117.25 157.02 26.75 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.228 -0.896 . . . . 2.24 111.07 -172.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.574 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 70.8 m-70 -118.1 134.14 55.26 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.419 -0.956 . . . . 0.6 108.419 -176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.537 ' HG2' ' HG2' ' A' ' 61' ' ' ARG . 54.1 mtt -117.44 124.23 48.32 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.626 -0.429 . . . . 0.73 111.434 -176.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -120.16 132.59 55.45 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.729 -0.669 . . . . 0.94 109.592 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 7.6 t -99.75 132.82 44.85 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 120.932 0.396 . . . . 1.3 111.582 -174.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.776 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 73.9 m-85 -112.74 179.5 3.96 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.799 -0.815 . . . . 0.32 108.799 172.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.603 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 5.6 p30 -131.52 31.28 4.33 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.256 0.55 . . . . 1.17 110.464 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -157.06 124.98 5.47 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.243 -0.651 . . . . 1.62 109.243 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' A' ' 56' ' ' GLU . 6.4 mpt_? -68.42 -31.49 70.86 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.292 -0.413 . . . . 3.68 110.649 -176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 93.6 m -59.45 -53.11 61.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.066 -0.516 . . . . 0.5 110.083 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 53.1 t -52.07 -48.95 41.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.756 -0.656 . . . . 0.27 110.734 174.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.606 ' SD ' ' HB3' ' A' ' 58' ' ' MET . 31.3 mtp -50.28 -48.42 54.99 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.84 111.953 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 24.1 t70 -69.07 -37.3 78.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.699 0.285 . . . . 0.67 110.905 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -53.76 50.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.369 177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.8 mm -62.09 -40.29 86.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.701 -0.681 . . . . 0.22 109.989 176.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.616 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 31.0 mtmt -51.72 -63.69 1.05 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.042 0.448 . . . . 0.92 110.405 175.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 46.7 ttp -55.36 -47.94 75.0 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.934 -1.03 . . . . 1.41 112.212 -177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.636 HG21 ' HA ' ' A' ' 3' ' ' HIS . 90.5 m -52.81 -55.95 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.27 111.111 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.8 mp -69.14 -48.63 61.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.713 -0.676 . . . . 1.03 109.215 -174.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.625 ' HA ' HD11 ' A' ' 48' ' ' LEU . 16.3 tm0? -48.75 -54.39 15.2 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 114.871 -1.058 . . . . 1.72 111.915 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.1 mm100 -65.74 -47.38 75.48 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 112.155 0.428 . . . . 2.21 112.155 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.692 HG21 ' HB3' ' A' ' 25' ' ' ALA . 49.0 mt -62.7 -43.56 98.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.999 0.428 . . . . 0.39 110.27 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.595 HG23 ' NZ ' ' A' ' 112' ' ' LYS . 36.2 mt -57.66 -47.79 84.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.845 -0.616 . . . . 0.4 110.597 175.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.57 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 51.0 m -66.35 -25.66 66.92 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-N 115.928 -0.578 . . . . 1.32 111.571 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 97.4 mtt180 -60.8 -34.0 73.85 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-O 121.118 0.485 . . . . 2.87 110.037 172.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CE2' HG22 ' A' ' 107' ' ' ILE . 16.7 m-85 -88.46 -16.83 31.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 2.75 110.542 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.595 ' NZ ' HG23 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -73.13 -50.54 22.13 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.37 0.605 . . . . 1.63 109.563 172.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -69.93 -34.05 72.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.162 -0.926 . . . . 1.6 109.454 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.36 19.99 10.98 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 114.146 -1.388 . . . . 1.33 111.481 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.135 -0.936 . . . . 2.23 109.843 179.763 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 111.626 0.232 . . . . 3.79 111.626 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.1 p -68.99 -54.88 12.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 2.78 111.826 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -68.91 -26.62 65.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.156 0.503 . . . . 3.58 109.863 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' B' ' 29' ' ' LYS . 8.1 m-20 -69.35 -36.55 76.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.701 -0.681 . . . . 2.67 109.555 175.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.532 ' HA ' ' CG ' ' B' ' 29' ' ' LYS . 32.7 t70 -64.33 -35.92 82.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.696 -0.684 . . . . 2.16 109.9 175.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -63.49 -13.48 41.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.424 -0.807 . . . . 1.84 110.83 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -100.7 -41.02 7.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.391 -0.368 . . . . 2.39 111.137 176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 9.6 ptmm? -84.0 -21.95 31.53 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 113.087 0.773 . . . . 2.91 113.087 -172.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 20.8 p-90 -58.81 -36.42 74.45 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.692 -0.484 . . . . 1.06 109.692 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.537 ' CH2' ' HG3' ' A' ' 61' ' ' ARG . 1.1 t-105 -59.79 -44.31 94.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.395 -0.821 . . . . 1.02 110.162 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.495 ' NE ' ' HA ' ' B' ' 32' ' ' ARG . 3.5 mmp_? -66.19 -40.86 90.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.135 -0.939 . . . . 3.37 110.737 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 20.9 m -66.72 -41.54 87.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 1.9 110.55 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.458 ' HB3' ' HG3' ' A' ' 52' ' ' PRO . 5.8 mm-40 -62.45 -44.09 97.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.94 -0.573 . . . . 2.32 110.838 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' B' ' 35' ' ' GLU . 5.2 mm-40 -72.52 -29.14 63.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.32 -0.4 . . . . 3.14 111.458 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.1 -15.67 63.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.929 0.395 . . . . 2.58 111.101 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -68.51 -36.54 79.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.874 -0.603 . . . . 3.65 109.937 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -93.74 -45.18 7.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 3.22 109.849 177.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 16.6 tpt -94.21 89.32 5.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.738 . . . . 4.43 109.782 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.856 -0.969 . . . . 6.18 111.511 -178.809 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.478 0.587 0 N-CA-C 110.516 -0.609 . . . . 3.6 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -96.39 -51.9 4.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 1.99 110.587 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.413 ' HA ' HG21 ' A' ' 103' ' ' THR . 46.3 m80 -85.32 -16.67 39.23 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.111 -0.495 . . . . 0.61 111.625 -178.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.8 p -143.87 163.18 34.12 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.652 0.739 . . . . 0.28 112.81 -174.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.73 150.59 8.11 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.128 -1.396 . . . . 0.15 110.223 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.76 123.28 19.69 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.359 0.599 . . . . 0.19 111.592 -173.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.619 ' HA ' ' O ' ' A' ' 90' ' ' SER . . . -133.68 174.05 10.85 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.918 -1.037 . . . . 0.16 110.164 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.671 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.47 138.85 52.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 C-N-CA 122.464 0.306 . . . . 0.36 110.312 -177.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 37.8 t80 -147.5 133.63 19.36 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.99 -0.744 . . . . 0.39 108.99 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 43.3 mt-10 61.83 37.94 15.08 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.289 0.566 . . . . 1.33 111.187 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 66.35 0.14 1.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.701 -1.136 . . . . 2.23 113.08 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -105.34 147.75 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.48 -0.563 . . . . 0.26 109.48 173.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.671 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.9 t -96.5 155.25 16.85 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.612 -0.722 . . . . 1.29 111.763 -176.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.55 -150.3 7.65 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.006 -0.997 . . . . 0.17 111.589 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.01 145.83 28.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 N-CA-C 109.821 -0.437 . . . . 0.18 109.821 175.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.516 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.6 133.82 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.315 -1.365 . . . . 0.17 107.315 172.392 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.95 107.72 5.37 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.14 0.422 . . . . 0.15 112.14 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.4 mp -85.51 125.1 40.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.305 -0.628 . . . . 0.23 109.305 176.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -117.57 122.11 42.76 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.587 -0.733 . . . . 1.36 111.225 -172.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -118.96 71.61 0.86 Allowed 'General case' 0 N--CA 1.433 -1.298 0 N-CA-C 108.037 -1.097 . . . . 1.47 108.037 169.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -112.64 -23.17 10.37 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 123.221 1.486 . . . . 3.67 108.482 165.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.1 m -107.49 -168.8 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 111.759 -2.473 . . . . 0.9 111.62 -161.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . 11.1 m -72.52 170.49 12.89 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 105.596 -2.002 . . . . 1.23 105.596 173.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' HG23 ' A' ' 41' ' ' VAL . 52.0 Cg_exo -34.31 126.76 0.19 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 122.77 2.313 . . . . 0.56 113.596 -148.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.722 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.06 134.89 0.99 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-N 113.817 -1.538 . . . . 0.27 112.484 -166.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.77 151.24 41.81 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.084 0.469 . . . . 0.69 110.354 -176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -103.09 128.71 49.88 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 108.537 -0.912 . . . . 0.59 108.537 177.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -121.99 107.81 12.67 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 116.104 -0.498 . . . . 0.22 110.895 -172.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 78.9 t90 -90.18 128.26 36.32 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.97 -0.752 . . . . 0.22 108.97 173.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.855 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.6 ptt85 -132.52 126.63 33.35 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.116 -0.493 . . . . 1.93 110.738 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -59.03 151.37 22.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 0.27 110.339 -177.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.4 HG23 ' HA2' ' A' ' 14' ' ' GLY . 38.5 p -56.9 -23.71 46.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.464 -0.789 . . . . 0.97 112.41 -170.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.53 -28.59 59.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.082 0.467 . . . . 2.57 110.836 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.28 16.2 33.11 Favored Glycine 0 N--CA 1.453 -0.231 0 CA-C-N 115.998 -0.546 . . . . 1.07 112.186 -178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.69 -55.37 2.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.985 0.421 . . . . 2.64 111.686 -176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.669 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 12.6 tttp -90.16 120.35 31.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.445 0.64 . . . . 1.2 110.95 -171.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.855 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.2 t -131.12 132.61 63.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.156 0 CA-C-N 114.698 -1.137 . . . . 0.83 109.759 -175.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 8.6 m-70 -132.7 123.4 26.22 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.765 -0.828 . . . . 0.33 108.765 176.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.74 128.46 55.74 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.373 0.606 . . . . 0.32 111.627 -172.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -116.37 101.25 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.18 -0.918 . . . . 0.23 110.588 -177.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.5 OUTLIER -71.41 120.9 20.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.174 -0.676 . . . . 0.63 109.174 175.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.73 -17.56 64.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.059 -0.973 . . . . 1.24 113.477 -165.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -67.3 -10.52 51.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.693 0.282 . . . . 1.08 111.649 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 p -96.03 -7.01 37.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.708 0.289 . . . . 0.36 110.628 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.522 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.5 mm -100.26 142.25 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-O 121.213 0.53 . . . . 0.36 111.479 -175.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 13.4 t70 -106.03 -48.77 3.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.274 -0.875 . . . . 0.7 111.08 -178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HB3' HG13 ' A' ' 63' ' ' ILE . 43.1 tptt -134.32 173.77 11.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.529 0.681 . . . . 1.56 110.703 -173.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.604 HD13 ' HG2' ' A' ' 105' ' ' GLN . 4.4 mp -129.29 157.69 41.16 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.084 -0.962 . . . . 1.37 109.751 171.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.591 ' CB ' ' HB2' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -130.68 138.28 49.97 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.12 -0.946 . . . . 2.28 108.695 173.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.727 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -142.68 134.61 27.05 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 116.299 -0.409 . . . . 0.43 110.031 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 p -68.52 146.99 98.06 Favored Pre-proline 0 C--N 1.317 -0.823 0 CA-C-N 115.574 -0.739 . . . . 0.55 111.819 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.09 136.23 63.82 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 123.219 2.613 . . . . 1.1 111.995 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.26 -18.0 63.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 1.58 111.261 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 p -73.62 -8.03 54.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.928 -0.578 . . . . 1.55 110.849 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.9 t -106.34 149.58 26.82 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.946 -0.761 . . . . 1.32 108.946 174.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 39.4 tt0 -78.79 -19.89 51.11 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-O 120.886 0.374 . . . . 2.37 110.703 178.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -77.14 111.22 12.51 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.669 -0.412 . . . . 2.29 111.616 -173.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 91' ' ' PHE . 3.1 mpp? -82.02 121.98 27.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.173 -0.467 . . . . 1.13 110.383 176.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.405 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 7.0 tpp -152.19 134.26 14.98 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.93 0.395 . . . . 0.63 111.873 -178.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HG2' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -115.96 146.91 41.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.611 -0.722 . . . . 0.48 109.419 171.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . 60.4 mtt180 -120.89 147.84 44.86 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.119 0.485 . . . . 2.37 110.091 170.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 2.7 mm? -111.98 102.25 10.49 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.149 -0.932 . . . . 0.7 108.531 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.3 mm -87.54 100.42 10.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 C-N-CA 120.651 -0.42 . . . . 0.41 110.579 -173.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -65.81 152.26 51.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.425 -0.893 . . . . 0.37 112.452 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 21.3 mtpt -69.03 147.46 51.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.077 0.465 . . . . 1.16 110.255 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 27.7 m -113.56 148.77 16.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.699 -0.682 . . . . 1.48 109.712 176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' HB3' ' HD3' ' A' ' 70' ' ' LYS . 10.1 m-20 -102.72 80.14 1.87 Allowed 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.783 -0.644 . . . . 4.14 110.258 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.7 -26.95 50.53 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.422 -0.808 . . . . 4.61 109.822 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 p -65.62 -34.09 77.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.319 -0.855 . . . . 4.68 110.821 176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 67' ' ' ASP . 7.6 mptt -86.8 -27.84 23.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 6.99 110.587 178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -68.01 143.91 55.36 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.679 0.752 . . . . 8.2 111.286 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -76.91 164.16 26.05 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.464 -1.244 . . . . 10.67 110.536 -177.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.648 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 95.4 mttt -101.14 171.19 7.77 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.317 -0.856 . . . . 8.97 110.772 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -81.24 -174.04 4.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.895 -0.593 . . . . 8.74 110.037 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -72.68 -25.06 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.017 0.436 . . . . 11.37 110.53 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' HB2' ' ND2' ' A' ' 78' ' ' ASN . 24.5 mt-10 -95.23 -3.1 48.23 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 108.755 -0.831 . . . . 11.2 108.755 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.648 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 101.18 -60.52 0.61 Allowed Glycine 0 N--CA 1.435 -1.424 0 N-CA-C 109.039 -1.624 . . . . 8.81 109.039 -169.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER 54.35 -45.07 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.906 1.447 . . . . 8.6 114.906 -178.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 57.02 67.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.558 0.694 . . . . 8.38 109.218 -170.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.8 m -77.04 141.99 14.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 114.963 -1.017 . . . . 5.39 110.733 -174.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.78 119.98 68.21 Favored Pre-proline 0 N--CA 1.441 -0.919 0 N-CA-C 109.269 -0.641 . . . . 4.27 109.269 174.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -77.11 134.98 14.91 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.613 2.209 . . . . 2.92 111.71 -177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.3 mmmt -68.17 118.71 61.65 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.703 -0.681 . . . . 4.42 110.617 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.482 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 42.4 Cg_exo -61.35 139.72 84.22 Favored 'Trans proline' 0 C--N 1.331 -0.377 0 C-N-CA 123.922 3.082 . . . . 0.94 112.97 -176.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -89.42 115.63 27.01 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.741 -0.837 . . . . 2.01 108.741 174.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 7.3 ptt180 -123.02 154.6 38.26 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.902 -0.59 . . . . 2.24 111.228 -170.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 87.2 m-70 -102.4 156.09 17.82 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.932 -0.766 . . . . 0.6 108.932 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.9 ttm -131.0 131.51 44.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.655 -0.418 . . . . 0.73 110.95 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -131.52 141.15 49.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.038 -0.528 . . . . 0.94 110.364 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.619 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.9 t -109.44 133.06 53.54 Favored 'General case' 0 C--O 1.213 -0.843 0 N-CA-C 110.433 -0.21 . . . . 1.3 110.433 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.618 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.5 m-85 -112.42 178.36 4.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.578 -0.527 . . . . 0.32 109.578 176.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -118.22 7.46 12.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.983 -0.553 . . . . 1.17 111.519 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -141.29 138.72 33.38 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.624 0.249 . . . . 1.62 110.886 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.473 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 3.3 mpt_? -67.4 -38.86 85.3 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.037 -0.528 . . . . 3.68 110.676 175.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 52.7 m -60.5 -50.02 75.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.055 -0.521 . . . . 0.5 110.657 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.99 -53.03 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.061 -0.518 . . . . 0.27 110.731 173.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.458 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 25.9 mtp -46.83 -58.47 3.88 Favored 'General case' 0 C--O 1.224 -0.285 0 N-CA-C 112.155 0.428 . . . . 0.84 112.155 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.574 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.0 t70 -67.04 -36.95 83.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.408 -0.36 . . . . 0.67 111.368 -172.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -66.95 -53.24 33.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.462 -0.335 . . . . 1.55 110.581 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.421 HG22 ' CD1' ' A' ' 104' ' ' LEU . 48.3 mm -59.08 -41.4 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.22 109.945 177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.727 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 39.4 mtmt -50.53 -61.6 2.09 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.071 0.462 . . . . 0.92 110.787 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.8 mtm -60.47 -47.42 86.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.382 -0.826 . . . . 1.41 111.736 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 107' ' ' ILE . 94.7 m -52.85 -52.6 56.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.27 110.7 178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 48' ' ' LEU . 63.5 mt -60.88 -59.72 4.93 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.75 -0.659 . . . . 1.03 111.275 177.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.1 tm0? -53.14 -45.9 68.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.834 -1.075 . . . . 1.72 112.743 -172.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -66.94 -42.66 84.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.82 0.304 . . . . 2.21 111.82 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.722 HG21 ' HB3' ' A' ' 25' ' ' ALA . 52.1 mt -66.58 -41.0 87.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 109.67 -0.493 . . . . 0.39 109.67 178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 48' ' ' LEU . 31.0 mt -53.91 -51.96 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.711 -0.677 . . . . 0.4 110.209 172.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 m -61.57 -29.48 70.05 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.752 -0.658 . . . . 1.32 111.365 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.6 mtt180 -68.37 -28.41 67.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.707 0.289 . . . . 2.87 111.308 177.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.488 ' CE2' HG22 ' A' ' 107' ' ' ILE . 22.2 m-85 -93.9 -16.06 24.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.66 0.743 . . . . 2.75 109.673 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -77.56 -54.65 6.15 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.588 -1.187 . . . . 1.63 109.9 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -75.92 -24.57 55.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.163 -0.926 . . . . 1.6 108.571 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.82 21.44 5.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 113.716 -1.584 . . . . 1.33 111.654 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 115.604 -0.725 . . . . 2.23 109.675 175.643 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.599 0.238 . . . . 3.79 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.4 p -69.41 -15.96 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.395 0.517 . . . . 2.78 112.395 -177.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' B' ' 27' ' ' PHE . 9.7 tt0 -62.63 -27.5 69.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.554 0.692 . . . . 3.58 109.628 174.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.55 -28.52 41.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.186 -0.916 . . . . 2.67 109.66 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.523 ' HA ' ' HD3' ' B' ' 29' ' ' LYS . 1.7 m-20 -74.18 -12.58 60.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.312 -0.858 . . . . 2.16 111.776 -178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.608 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 21.6 m-85 -65.76 -14.17 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.788 0.328 . . . . 1.84 111.184 178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.76 -42.73 11.13 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.226 0.536 . . . . 2.39 109.668 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.523 ' HD3' ' HA ' ' B' ' 26' ' ' ASP . 46.8 mtpt -64.62 -49.0 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.303 -0.862 . . . . 2.91 111.977 -175.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.608 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 4.0 p-90 -71.21 -28.36 64.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.147 0.498 . . . . 1.06 110.764 -174.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.405 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 1.5 t-105 -79.05 -48.61 14.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 1.02 110.68 -173.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -82.38 -10.56 59.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.73 -0.668 . . . . 3.37 110.99 -173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 33.9 t -70.91 -49.42 46.03 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.695 -0.483 . . . . 1.9 109.695 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.44 -26.11 46.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.353 -0.385 . . . . 2.32 111.388 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -69.33 -27.32 65.27 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 120.716 -0.393 . . . . 3.14 110.326 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.08 -14.36 61.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.13 0.49 . . . . 2.58 110.78 178.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -86.38 -42.47 13.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.23 -0.441 . . . . 3.65 110.0 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -76.91 -48.67 17.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.018 -0.537 . . . . 3.22 110.066 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 14.4 tpt 60.17 87.97 0.08 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.577 -0.738 . . . . 4.43 111.49 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.846 -0.975 . . . . 6.18 111.415 176.773 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo . . . . . 0 N--CA 1.481 0.752 0 N-CA-C 110.559 -0.593 . . . . 3.6 110.559 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 p -110.87 40.0 2.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.402 -0.363 . . . . 1.99 111.56 -176.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.404 ' HA ' HG21 ' A' ' 103' ' ' THR . 23.9 m80 -150.82 -13.37 0.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.435 -0.348 . . . . 0.61 111.667 173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 23.0 p -147.92 165.79 29.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.847 0.832 . . . . 0.28 113.119 -173.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.0 152.24 8.58 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 114.026 -1.443 . . . . 0.15 110.108 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.51 116.36 8.16 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.309 0.576 . . . . 0.19 111.867 -173.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.803 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.77 175.86 6.97 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-N 115.134 -0.939 . . . . 0.16 110.156 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.47 138.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.968 -0.382 . . . . 0.36 109.968 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.6 t80 -148.78 128.9 13.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.623 -0.51 . . . . 0.39 109.623 -178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.602 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 47.8 mt-10 64.13 41.86 5.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.482 0.658 . . . . 1.33 110.992 -179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.44 0.48 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.398 -1.274 . . . . 2.23 113.257 176.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.529 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -108.7 147.85 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.33 -0.618 . . . . 0.26 109.33 173.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.655 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.6 m -94.34 156.82 16.32 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.988 -0.551 . . . . 1.29 111.624 -177.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.513 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -174.22 -148.97 6.8 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.635 -0.712 . . . . 0.17 111.776 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.624 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.53 145.29 30.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.751 -0.462 . . . . 0.18 109.751 174.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.34 134.56 39.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 107.442 -1.318 . . . . 0.17 107.442 172.035 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.62 110.37 6.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.825 0.345 . . . . 0.15 111.871 -171.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.647 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -90.17 128.13 42.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.177 0.513 . . . . 0.23 110.253 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -117.01 120.41 38.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.44 -0.8 . . . . 1.36 111.02 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 18.9 mt-10 -116.74 71.34 0.79 Allowed 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 107.721 -1.214 . . . . 1.47 107.721 168.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -112.35 -20.42 11.83 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 123.269 1.509 . . . . 3.67 108.186 167.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 m -110.14 -169.9 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 111.782 -2.463 . . . . 0.9 111.685 -163.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.538 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 36.4 p -73.08 170.1 15.11 Favored Pre-proline 0 C--N 1.313 -1.005 0 N-CA-C 105.437 -2.06 . . . . 1.23 105.437 172.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.538 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 72.3 Cg_exo -33.22 126.55 0.13 Allowed 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.789 2.326 . . . . 0.56 114.01 -147.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.519 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -34.21 129.27 0.38 Allowed 'General case' 0 CA--C 1.508 -0.666 0 O-C-N 125.492 1.745 . . . . 0.27 112.47 -169.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 5.5 mt-10 -115.33 144.34 43.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 C-N-CA 119.942 -0.703 . . . . 0.69 109.534 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD12 HD11 ' A' ' 18' ' ' ILE . 1.1 tt -103.41 127.4 50.79 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-N 115.212 -0.904 . . . . 0.59 108.784 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.5 m -119.05 108.03 14.23 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 115.792 -0.64 . . . . 0.22 110.83 -171.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 76.5 t90 -92.48 124.99 36.92 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.045 -0.724 . . . . 0.22 109.045 173.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 37' ' ' VAL . 3.2 ptt-85 -127.21 128.5 46.18 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.86 -0.609 . . . . 1.93 110.556 178.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.6 p -59.69 151.89 23.92 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.596 -0.729 . . . . 0.27 109.929 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.513 HG23 ' HA2' ' A' ' 14' ' ' GLY . 18.5 p -57.77 -21.75 43.23 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.347 0.499 . . . . 0.97 112.347 -172.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -78.36 -28.77 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 2.57 110.659 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.25 3.11 55.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.137 -0.554 . . . . 1.07 112.434 177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -87.33 -47.23 8.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.758 0.313 . . . . 2.64 111.618 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.8 tttp -93.02 120.74 33.64 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.26 0.553 . . . . 1.2 110.994 -174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.851 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.7 t -134.96 135.41 52.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 114.941 -1.027 . . . . 0.83 109.589 -175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -135.56 126.5 27.68 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.078 -0.712 . . . . 0.33 109.078 177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -111.87 117.85 33.91 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.734 0.778 . . . . 0.32 111.609 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.44 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 39.8 t -103.27 102.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 114.65 -1.159 . . . . 0.23 110.431 -178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -74.25 110.7 8.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.708 0.766 . . . . 0.63 109.287 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 0.4 OUTLIER -49.69 -31.76 11.88 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 115.166 1.543 . . . . 1.24 115.166 -172.383 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 m -63.36 -4.35 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 119.303 0.956 . . . . 1.08 112.365 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -101.76 -3.22 28.47 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.628 -0.508 . . . . 0.36 109.628 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 19.7 mm -91.99 146.27 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.564 -0.744 . . . . 0.36 109.939 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.41 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 16.7 t70 -103.48 -43.06 5.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.167 0.508 . . . . 0.7 110.354 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.574 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 21.1 tptm -143.94 171.35 14.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.849 -0.614 . . . . 1.56 109.964 -178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.642 HD22 HD12 ' A' ' 108' ' ' ILE . 1.5 pt? -132.31 149.15 52.42 Favored 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 108.688 -0.856 . . . . 1.37 108.688 166.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' CG ' HD11 ' A' ' 63' ' ' ILE . 13.6 mm100 -135.29 139.15 44.14 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.637 -0.505 . . . . 2.28 109.637 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -122.41 150.05 42.99 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.439 -0.346 . . . . 0.43 110.087 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.14 140.38 78.27 Favored Pre-proline 0 C--N 1.329 -0.295 0 N-CA-C 112.512 0.56 . . . . 0.55 112.512 -174.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.32 146.24 73.74 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.326 2.684 . . . . 1.1 111.64 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.72 -19.13 63.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.851 -0.613 . . . . 1.58 112.432 -173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.8 p -76.61 -16.97 59.44 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.914 0.388 . . . . 1.55 110.805 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.492 ' HB2' ' HG2' ' B' ' 34' ' ' GLU . 22.7 t -90.19 143.1 27.08 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.223 0.535 . . . . 1.32 110.664 -177.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 34.4 tt0 -89.47 -16.14 31.48 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.635 -0.711 . . . . 2.37 110.358 175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -78.12 111.09 13.68 Favored 'General case' 0 C--N 1.313 -0.994 0 C-N-CA 120.327 -0.549 . . . . 2.29 110.628 -174.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 97' ' ' MET . 3.3 mpp? -70.22 118.14 12.67 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.801 -0.636 . . . . 1.13 110.145 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.0 tpp -152.93 136.83 16.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.63 111.682 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.631 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.4 mm? -121.44 146.03 47.31 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.319 -0.623 . . . . 0.48 109.319 169.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -116.78 142.47 46.87 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.31 0.576 . . . . 2.37 111.384 174.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.612 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.8 mm? -105.56 108.12 19.47 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.932 -1.136 . . . . 0.7 107.932 173.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.597 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.9 mm -87.98 97.98 7.18 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 108.661 -0.866 . . . . 0.41 108.661 -177.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.611 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -70.84 147.02 42.62 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 119.943 -1.122 . . . . 0.37 111.862 -176.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -60.43 158.98 10.98 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.825 0.822 . . . . 1.16 112.218 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.2 t -104.32 109.27 26.86 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 114.589 -1.187 . . . . 1.48 109.318 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -82.07 145.84 29.97 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.505 -0.771 . . . . 4.14 109.605 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -60.78 -18.51 55.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 4.61 111.519 -178.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.3 p -82.09 -21.29 36.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.122 0.487 . . . . 4.68 110.961 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -95.79 -7.53 36.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.863 -0.608 . . . . 6.99 110.293 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 79' ' ' GLU . 67.2 tttt -51.94 152.64 2.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.497 -0.774 . . . . 8.2 111.086 176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' HD3' ' HB3' ' A' ' 82' ' ' PRO . 48.4 mtp180 -132.24 168.38 18.16 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.722 0.772 . . . . 10.67 112.45 -172.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 9.6 mtmp? -132.74 147.3 52.32 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.985 -1.461 . . . . 8.97 109.597 175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -82.15 178.94 8.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.62 -0.718 . . . . 8.74 109.739 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -57.88 -31.75 67.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 11.37 110.856 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -89.31 8.24 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.211 0.529 . . . . 11.2 111.043 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 74.52 20.45 79.56 Favored Glycine 0 CA--C 1.504 -0.624 0 CA-C-N 115.69 -0.687 . . . . 8.81 113.476 177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 1.6 m120 -72.56 118.78 15.89 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 109.236 -0.653 . . . . 8.6 109.236 170.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.433 ' HB2' ' HE2' ' A' ' 71' ' ' LYS . 11.4 pt-20 -71.88 69.25 0.69 Allowed 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 114.797 -1.092 . . . . 8.38 111.039 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 28.9 m -76.36 139.85 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 114.938 -1.028 . . . . 5.39 110.178 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 t -73.17 123.83 89.96 Favored Pre-proline 0 N--CA 1.443 -0.784 0 CA-C-N 116.204 -0.453 . . . . 4.27 109.822 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.465 ' HB3' ' HD3' ' A' ' 72' ' ' ARG . 69.8 Cg_endo -74.0 148.73 40.64 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.594 2.196 . . . . 2.92 111.669 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 14.0 mptt -64.3 124.9 87.1 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 4.42 110.563 177.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.611 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 74.3 Cg_exo -54.34 141.41 71.66 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 124.154 3.236 . . . . 0.94 112.811 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.39 115.56 8.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.139 0.495 . . . . 2.01 109.882 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.597 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.2 mtm180 -102.67 134.93 45.23 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 112.918 0.71 . . . . 2.24 112.918 -174.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.612 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 12.7 m-70 -102.71 119.55 39.04 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.101 -1.444 . . . . 0.6 107.101 173.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.46 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 34.1 ttm -110.05 128.38 55.39 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.237 -0.585 . . . . 0.73 110.904 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 62' ' ' LEU . 27.8 m-85 -124.69 137.5 54.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.94 110.122 -178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.0 t -105.11 134.3 48.45 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 116.582 -0.281 . . . . 1.3 110.86 -179.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.803 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.6 m-85 -111.87 178.17 4.41 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.085 -0.709 . . . . 0.32 109.085 172.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.5 p-10 -135.69 26.94 3.36 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.884 -0.598 . . . . 1.17 110.704 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -140.22 139.68 35.68 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.62 110.192 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.444 ' NH2' ' HG3' ' A' ' 56' ' ' GLU . 11.0 mmt180 -71.09 -37.45 72.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.82 -0.627 . . . . 3.68 110.869 -176.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 49.6 m -72.14 -47.23 52.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.647 -0.706 . . . . 0.5 111.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.9 t -47.08 -46.98 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.223 176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.539 ' HG3' ' HG3' ' A' ' 58' ' ' MET . 65.8 mmm -44.24 -65.64 0.49 Allowed 'General case' 0 C--O 1.22 -0.472 0 O-C-N 123.432 0.458 . . . . 0.84 112.23 172.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.46 -35.43 72.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 123.522 0.514 . . . . 0.67 111.241 -174.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -67.2 -59.41 3.46 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.433 -0.349 . . . . 1.55 110.749 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.796 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -58.21 -41.52 81.14 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 CA-C-N 116.42 -0.354 . . . . 0.22 110.114 177.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG2' HD11 ' A' ' 60' ' ' LEU . 48.9 mtpt -50.76 -64.33 0.84 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.202 0.525 . . . . 0.92 110.613 175.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 37.8 ttp -56.03 -50.97 69.43 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.872 -1.058 . . . . 1.41 112.27 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.404 HG21 ' HA ' ' A' ' 3' ' ' HIS . 78.7 m -49.95 -54.19 21.47 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.358 0.599 . . . . 0.27 111.337 -177.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.796 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.5 mp -67.41 -51.79 47.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.178 -0.919 . . . . 1.03 109.414 -176.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.558 ' CG ' HD21 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -49.56 -46.76 49.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.024 -0.989 . . . . 1.72 112.27 -177.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.605 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 51.9 mt-30 -64.31 -44.7 90.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.351 0.13 . . . . 2.21 111.351 -177.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.519 HG21 ' HB3' ' A' ' 25' ' ' ALA . 40.4 mt -65.26 -42.76 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.103 0.477 . . . . 0.39 110.16 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.782 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 62.8 mt -62.07 -45.28 99.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.833 -0.622 . . . . 0.4 109.919 176.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.407 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 39.8 t -58.37 -31.32 67.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.369 -0.378 . . . . 1.32 110.253 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 92.7 mtt180 -62.28 -50.25 72.46 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.156 -0.474 . . . . 2.87 110.516 176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.782 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 8.6 p90 -87.04 -3.78 59.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.355 -0.538 . . . . 2.75 111.915 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 40.0 mttm -75.7 -51.22 13.21 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.217 0.532 . . . . 1.63 109.935 169.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 115' ' ' ASP . 13.6 t70 -73.58 -38.34 65.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.526 -0.761 . . . . 1.6 109.712 178.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 54.85 50.56 15.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.449 -0.796 . . . . 1.33 110.606 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' HB2' ' OD2' ' A' ' 113' ' ' ASP . 24.0 t70 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.89 -1.05 . . . . 2.23 110.52 -178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.405 0.145 . . . . 3.79 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 9.4 p -65.03 -51.61 60.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.637 0.256 . . . . 2.78 111.406 -179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -66.46 -27.29 67.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.086 0.47 . . . . 3.58 110.462 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.556 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 6.0 m-20 -72.88 -49.51 29.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.512 -0.767 . . . . 2.67 110.677 -176.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.29 -26.06 67.15 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.37 0.605 . . . . 2.16 109.885 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -73.24 -14.91 61.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.19 -0.914 . . . . 1.84 111.2 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.3 pp -108.92 -30.43 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.719 -0.392 . . . . 2.39 111.36 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -76.65 -25.8 54.18 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 112.425 0.528 . . . . 2.91 112.425 -175.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 49.6 p-90 -61.64 -24.66 66.87 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.156 0.503 . . . . 1.06 110.172 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.549 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.5 t-105 -69.67 -48.53 59.47 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.323 -0.853 . . . . 1.02 110.734 -176.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 19.5 tpp85 -77.14 -26.96 53.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.046 -0.525 . . . . 3.37 110.09 -177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.6 t -59.04 -37.35 76.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.989 -0.551 . . . . 1.9 109.602 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 55' ' ' SER . 10.5 tp10 -77.87 -42.78 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.594 -0.73 . . . . 2.32 110.792 178.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 46.7 mt-10 -65.48 -24.91 67.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.321 -0.399 . . . . 3.14 111.537 -178.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.04 -20.63 61.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.629 -0.259 . . . . 2.58 111.301 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -65.37 -43.81 89.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.446 -0.343 . . . . 3.65 111.261 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -85.16 -10.74 56.35 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.765 0.317 . . . . 3.22 110.604 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mmt -74.9 -44.36 49.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.395 -0.366 . . . . 4.43 110.138 175.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.135 0 CA-C-O 118.509 -1.162 . . . . 6.18 111.883 177.68 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.481 0.738 0 N-CA-C 110.731 -0.527 . . . . 3.6 110.731 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -79.87 75.57 6.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.07 -0.514 . . . . 1.99 110.79 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HA ' HG21 ' A' ' 103' ' ' THR . 21.8 m80 -150.37 -15.84 0.24 Allowed 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.61 111.693 174.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.58 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 37.4 p -146.06 171.38 14.97 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.489 0.662 . . . . 0.28 112.501 -174.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 167.53 146.93 5.1 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 114.394 -1.275 . . . . 0.15 110.359 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.639 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.01 118.02 9.88 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.305 0.574 . . . . 0.19 111.477 -172.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.793 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.04 174.0 8.32 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.147 -0.933 . . . . 0.16 110.057 -177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.38 129.65 62.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.987 0 CA-C-N 116.356 -0.384 . . . . 0.36 110.009 -178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.621 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 43.6 t80 -143.77 132.51 22.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.019 -0.734 . . . . 0.39 109.019 -177.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.621 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 45.9 mt-10 66.48 29.6 9.05 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.601 0.715 . . . . 1.33 110.33 -175.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 69.0 -0.4 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.177 -1.374 . . . . 2.23 112.95 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.443 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.5 p -100.85 148.72 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.914 -0.773 . . . . 0.26 108.914 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 11.2 t -95.3 152.97 17.91 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.725 -0.67 . . . . 1.29 111.952 -175.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -173.39 -150.21 7.35 Favored Glycine 0 N--CA 1.442 -0.944 0 CA-C-N 114.84 -1.073 . . . . 0.17 111.559 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.639 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.07 145.66 29.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.796 -0.446 . . . . 0.18 109.796 175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.58 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.04 130.59 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 N-CA-C 106.943 -1.503 . . . . 0.17 106.943 170.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.11 110.09 6.47 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 0.15 112.051 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.691 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.2 mp -91.12 123.41 43.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.204 0.526 . . . . 0.23 110.746 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -108.92 124.91 51.41 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.925 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 26.4 mt-10 -120.74 72.42 0.96 Allowed 'General case' 0 N--CA 1.429 -1.495 0 N-CA-C 107.558 -1.275 . . . . 1.47 107.558 167.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.62 -24.35 9.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 123.126 1.441 . . . . 3.67 108.38 166.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.5 m -108.23 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 112.085 -2.325 . . . . 0.9 112.044 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 15.7 p -73.49 170.79 12.64 Favored Pre-proline 0 C--N 1.313 -1.007 0 N-CA-C 105.684 -1.969 . . . . 1.23 105.684 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.541 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.7 Cg_exo -33.7 125.58 0.15 Allowed 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.53 2.153 . . . . 0.56 113.751 -145.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.568 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.88 132.03 1.29 Allowed 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 113.651 -1.613 . . . . 0.27 112.499 -167.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 5.2 mt-10 -118.02 146.04 44.33 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.206 0.527 . . . . 0.69 109.965 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -103.44 129.13 50.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.406 -0.815 . . . . 0.59 109.126 -178.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.2 m -118.27 107.03 13.4 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 120.586 -0.446 . . . . 0.22 110.952 -173.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.588 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -88.45 118.95 28.45 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.078 -1.082 . . . . 0.22 108.078 169.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.71 ' CB ' HG22 ' A' ' 37' ' ' VAL . 22.0 ptt180 -128.71 130.71 47.5 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.849 -0.614 . . . . 1.93 109.509 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.525 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.4 p -64.78 158.45 24.88 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.877 -0.602 . . . . 0.27 110.995 -171.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 49.2 p -55.84 -37.9 69.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.97 110.921 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.73 -29.14 69.04 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 115.911 -0.586 . . . . 2.57 111.438 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.89 -0.07 66.77 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 111.449 -0.661 . . . . 1.07 111.449 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.28 -40.73 43.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.124 0.487 . . . . 2.64 110.649 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 14.0 mttt -95.29 130.25 42.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.905 -0.589 . . . . 1.2 110.901 177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.71 HG22 ' CB ' ' A' ' 30' ' ' ARG . 3.7 t -144.06 123.7 7.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.906 0 N-CA-C 108.532 -0.914 . . . . 0.83 108.532 176.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' THR . 12.4 m-70 -128.69 125.27 37.64 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.393 -0.595 . . . . 0.33 109.393 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.64 120.48 41.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.527 0.679 . . . . 0.32 112.109 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 28.5 t -104.61 101.77 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 114.869 -1.06 . . . . 0.23 110.543 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -73.54 119.26 20.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.632 0.73 . . . . 0.63 109.383 175.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 HG13 ' A' ' 45' ' ' ILE . 53.2 mt -67.87 -13.89 62.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 114.024 1.12 . . . . 1.24 114.024 -165.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 p -70.97 -14.49 62.38 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.901 0.382 . . . . 1.08 111.1 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.7 p -92.94 -3.13 55.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.318 0.58 . . . . 0.36 109.789 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.584 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 21.1 mm -94.38 137.96 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 CA-C-N 115.35 -0.841 . . . . 0.36 111.104 -177.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -103.72 -42.9 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.591 -0.731 . . . . 0.7 110.873 -178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HB3' HG13 ' A' ' 63' ' ' ILE . 7.4 mmtt -135.17 176.01 9.06 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.584 0.707 . . . . 1.56 111.277 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -145.77 141.33 27.88 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.899 -1.046 . . . . 1.37 108.559 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 37.2 mt-30 -135.48 149.32 49.51 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.666 0.27 . . . . 2.28 110.357 -177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.554 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -139.48 147.54 41.45 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.557 -0.535 . . . . 0.43 109.557 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -61.21 139.15 94.56 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 112.022 0.378 . . . . 0.55 112.022 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HG2' ' OG ' ' A' ' 55' ' ' SER . 13.9 Cg_endo -57.33 150.26 59.8 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.364 2.709 . . . . 1.1 111.743 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.437 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . . . -62.51 -25.57 68.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.804 -0.634 . . . . 1.58 111.679 -176.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.0 p -68.97 -31.84 70.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 1.55 110.732 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 52' ' ' PRO . 16.4 m -86.68 123.09 31.46 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.875 -0.602 . . . . 1.32 110.29 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.93 -38.2 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.889 -0.596 . . . . 2.37 111.555 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -61.25 138.57 58.23 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.303 0.573 . . . . 2.29 111.54 -172.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.572 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 0.5 OUTLIER -96.51 122.67 39.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.28 -0.873 . . . . 1.13 109.84 -174.794 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.7 tpp -149.37 138.41 21.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.736 0.303 . . . . 0.63 111.33 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD11 ' CG ' ' A' ' 101' ' ' LYS . 1.1 mm? -121.0 145.3 47.9 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.954 -0.566 . . . . 0.48 109.598 167.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.4 mtt180 -117.35 140.75 49.17 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.615 -0.72 . . . . 2.37 111.403 175.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -105.61 104.14 13.79 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.446 -1.252 . . . . 0.7 108.286 170.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HG13 ' HB3' ' A' ' 47' ' ' LYS . 13.1 mm -87.26 99.39 8.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.112 -0.699 . . . . 0.41 109.112 -178.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.584 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.39 161.59 53.44 Favored Glycine 0 N--CA 1.441 -1.016 0 N-CA-C 110.92 -0.872 . . . . 0.37 110.92 179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -59.31 158.52 9.12 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.727 0.775 . . . . 1.16 110.083 179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . 31.0 m -90.97 163.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.767 0 CA-C-N 114.516 -1.22 . . . . 1.48 112.812 -161.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.64 148.72 48.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.538 -1.664 . . . . 4.14 110.48 175.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.7 -1.77 0.17 Allowed 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 113.04 0.755 . . . . 4.61 113.04 -177.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.5 p -64.62 1.74 0.78 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.943 0.401 . . . . 4.68 111.469 172.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.404 ' N ' ' HB3' ' A' ' 82' ' ' PRO . 68.8 tttt -68.41 -11.46 59.7 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.548 0.689 . . . . 6.99 109.604 169.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.5 tttt -61.32 163.96 6.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.005 -0.998 . . . . 8.2 110.823 174.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 171.34 0.25 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.768 -0.651 . . . . 10.67 111.777 -176.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -64.7 154.09 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.639 0.733 . . . . 8.97 111.914 -173.316 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.53 177.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.669 -1.15 . . . . 8.74 110.564 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.32 -31.63 69.33 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.167 0.508 . . . . 11.37 109.968 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -76.07 -3.14 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.676 -0.693 . . . . 11.2 110.914 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.02 25.53 74.51 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.363 -0.835 . . . . 8.81 112.786 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.47 ' O ' HG13 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -80.05 104.0 10.32 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 122.035 0.921 . . . . 8.6 109.423 173.07 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 2.6 tm-20 -68.77 73.65 0.26 Allowed 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 112.849 -1.978 . . . . 8.38 108.35 172.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 78' ' ' ASN . 14.0 m -75.9 137.94 21.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.989 -1.005 . . . . 5.39 110.843 -172.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.9 p -83.53 130.58 55.56 Favored Pre-proline 0 N--CA 1.445 -0.714 0 CA-C-N 115.95 -0.568 . . . . 4.27 109.626 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.404 ' HB3' ' N ' ' A' ' 70' ' ' LYS . 43.2 Cg_endo -69.06 128.26 16.4 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.088 1.859 . . . . 2.92 111.803 -179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 6.4 mtpm? -88.11 118.74 69.94 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-O 121.374 0.607 . . . . 4.42 110.463 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.492 ' HA ' ' HA ' ' A' ' 66' ' ' VAL . 16.7 Cg_exo -70.05 138.69 37.48 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.709 2.939 . . . . 0.94 111.465 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -88.39 114.11 24.67 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.382 -0.599 . . . . 2.01 109.382 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -118.17 148.28 42.51 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.772 0.796 . . . . 2.24 112.534 -171.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.61 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 52.2 m-70 -105.21 148.54 26.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.612 -1.176 . . . . 0.6 107.968 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 28.7 ttm -133.55 130.41 38.4 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.521 -0.471 . . . . 0.73 110.746 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 62' ' ' LEU . 28.1 m-85 -126.8 136.14 51.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.89 0.376 . . . . 0.94 110.604 -177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.547 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 46.9 m -103.18 126.7 50.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.788 -0.642 . . . . 1.3 111.884 -174.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.793 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.5 m-85 -112.91 179.16 4.04 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.701 -0.481 . . . . 0.32 109.701 173.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.434 ' HA ' ' HG3' ' A' ' 58' ' ' MET . 11.6 p30 -135.7 26.89 3.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.698 -0.683 . . . . 1.17 110.648 173.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.45 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -143.48 125.18 14.99 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.082 -0.71 . . . . 1.62 109.082 178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.437 ' NH2' ' HA ' ' A' ' 53' ' ' ALA . 7.7 tpt180 -73.75 -30.59 62.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 3.68 111.009 -173.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 22.7 m -64.52 -47.92 77.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.435 -0.348 . . . . 0.5 110.17 175.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.7 t -51.3 -51.44 23.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 115.9 -0.591 . . . . 0.27 110.353 172.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.572 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 13.3 mtp -45.62 -57.4 4.22 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.165 0.431 . . . . 0.84 112.165 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.657 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 29.6 t70 -63.35 -40.72 98.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.492 -0.322 . . . . 0.67 111.561 -175.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -66.5 -54.58 22.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.493 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.804 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -58.18 -41.98 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 0.22 110.152 175.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 14.9 mtmt -49.01 -64.84 0.69 Allowed 'General case' 0 CA--C 1.514 -0.438 0 CA-C-O 121.523 0.677 . . . . 0.92 110.581 176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.3 ttp -56.88 -49.24 76.12 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 114.358 -1.292 . . . . 1.41 111.765 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 107' ' ' ILE . 68.0 m -50.66 -47.22 58.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.27 111.251 -178.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.804 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.6 mp -79.7 -49.95 11.33 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.825 -0.625 . . . . 1.03 109.494 -173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.559 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -55.21 -44.16 75.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.531 -1.213 . . . . 1.72 111.901 -177.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -64.73 -44.56 89.79 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.379 0.133 . . . . 2.21 111.007 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.568 HG21 ' HB3' ' A' ' 25' ' ' ALA . 78.2 mt -61.94 -41.79 92.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.065 0.46 . . . . 0.39 110.217 178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.15 -45.42 98.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.912 -0.586 . . . . 0.4 110.33 175.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.445 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 47.9 t -61.04 -37.29 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.063 -0.517 . . . . 1.32 110.529 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -60.65 -34.95 75.05 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 123.186 0.595 . . . . 2.87 111.345 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -89.24 -16.43 31.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.962 0.41 . . . . 2.75 110.673 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 34.1 mttm -74.54 -49.87 20.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.204 0.526 . . . . 1.63 110.396 174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -83.53 -29.49 27.84 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.283 -0.871 . . . . 1.6 110.053 -178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 63.48 20.36 12.2 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.46 -1.245 . . . . 1.33 112.11 174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.284 -0.865 . . . . 2.23 109.876 177.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.406 0.146 . . . . 3.79 111.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.9 p -71.88 -56.39 5.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 2.78 110.995 -177.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.588 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 84.1 mm-40 -65.1 -26.97 68.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.104 -0.498 . . . . 3.58 110.362 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.62 -43.22 99.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.634 -0.712 . . . . 2.67 110.457 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -71.1 -36.88 72.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.279 -0.419 . . . . 2.16 110.004 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.63 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 43.0 m-85 -64.08 -15.68 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.814 -0.63 . . . . 1.84 111.506 176.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 94.9 mt -85.05 -53.31 5.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.692 -0.231 . . . . 2.39 110.84 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -71.93 -34.83 69.37 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.331 0.493 . . . . 2.91 112.331 -172.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.63 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.3 p-90 -71.56 -23.35 61.73 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.41 0.624 . . . . 1.06 109.844 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -84.35 -47.62 10.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.507 -0.77 . . . . 1.02 109.98 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -73.9 -33.13 63.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.521 -0.763 . . . . 3.37 111.478 -174.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 30.6 t -57.44 -49.46 76.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.059 0.457 . . . . 1.9 110.743 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.19 -45.31 20.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.144 -0.48 . . . . 2.32 112.101 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -72.86 -43.71 62.25 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.376 0.51 . . . . 3.14 112.376 -174.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.5 -16.46 62.34 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.806 -0.358 . . . . 2.58 110.665 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' B' ' 37' ' ' GLN . 0.0 OUTLIER -64.62 -28.89 69.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 3.65 110.4 177.018 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -71.44 -28.94 64.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 3.22 109.996 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 49.4 ttm -80.96 -40.59 24.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.709 -0.678 . . . . 4.43 110.392 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 118.559 -1.134 . . . . 6.18 111.609 178.091 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.475 0.428 0 N-CA-C 110.557 -0.594 . . . . 3.6 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.45 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 31.6 p 44.26 75.66 0.1 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 124.294 0.996 . . . . 1.99 112.664 177.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -152.64 -14.48 0.17 Allowed 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.806 0.299 . . . . 0.61 111.806 172.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.61 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 52.7 p -152.48 167.26 29.37 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.794 0.807 . . . . 0.28 112.727 -176.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.94 148.94 5.79 Favored Glycine 0 N--CA 1.442 -0.927 0 CA-C-N 114.052 -1.431 . . . . 0.15 110.311 -179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.636 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.89 115.94 7.2 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.274 0.559 . . . . 0.19 111.646 -173.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -124.52 177.51 5.89 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.86 -1.064 . . . . 0.16 109.901 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.65 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.8 mp -131.17 138.23 53.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 110.32 -0.252 . . . . 0.36 110.32 -179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.656 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 48.2 t80 -147.35 132.86 18.68 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.688 -0.856 . . . . 0.39 108.688 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.656 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.9 mt-10 65.19 32.28 10.2 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.168 0.509 . . . . 1.33 110.694 -175.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.7 mmtm 65.09 4.05 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.885 -1.052 . . . . 2.23 113.463 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.48 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -104.84 148.41 9.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.876 -0.787 . . . . 0.26 108.876 171.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.65 ' HA ' HG13 ' A' ' 8' ' ' ILE . 16.2 t -95.74 154.11 17.39 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.393 0.616 . . . . 1.29 111.676 -175.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.66 -150.47 7.35 Favored Glycine 0 N--CA 1.445 -0.726 0 CA-C-N 114.755 -1.111 . . . . 0.17 111.435 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.636 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.58 144.88 29.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 0.18 109.863 174.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.61 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.13 129.38 50.93 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 N-CA-C 106.975 -1.491 . . . . 0.17 106.975 171.535 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.41 111.64 7.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.833 0.349 . . . . 0.15 111.86 -169.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.711 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -90.11 127.54 42.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.167 0.508 . . . . 0.23 110.521 -177.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -114.71 119.94 38.41 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.363 -0.835 . . . . 1.36 110.551 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' HG2' ' CB ' ' A' ' 25' ' ' ALA . 9.4 mt-10 -122.38 72.83 1.08 Allowed 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.468 -0.938 . . . . 1.47 108.468 168.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -113.04 -20.56 11.46 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 123.104 1.43 . . . . 3.67 108.185 164.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 23' ' ' SER . 26.5 m -107.47 -170.23 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.956 0 CA-C-N 112.116 -2.311 . . . . 0.9 111.601 -161.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.519 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 9.1 p -73.56 168.84 21.71 Favored Pre-proline 0 C--N 1.315 -0.924 0 N-CA-C 105.853 -1.906 . . . . 1.23 105.853 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 49.9 Cg_exo -34.87 126.33 0.22 Allowed 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 122.363 2.042 . . . . 0.56 113.597 -144.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.438 ' CB ' ' HG2' ' A' ' 20' ' ' GLU . . . -38.78 131.05 1.38 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 113.527 -1.67 . . . . 0.27 112.543 -166.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' HB2' HG22 ' A' ' 39' ' ' THR . 0.0 OUTLIER -117.72 148.89 41.59 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.231 0.539 . . . . 0.69 110.49 -176.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' THR . 0.5 OUTLIER -103.11 129.85 50.09 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.381 -0.827 . . . . 0.59 108.914 179.763 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 m -118.52 108.02 14.48 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 116.187 -0.46 . . . . 0.22 111.048 -172.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.2 t90 -91.76 121.39 33.35 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.689 -0.856 . . . . 0.22 108.689 171.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.843 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -125.04 128.96 49.34 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.979 -0.555 . . . . 1.93 110.284 177.614 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.1 p -60.71 156.76 16.13 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.541 -0.754 . . . . 0.27 110.279 -175.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.418 HG23 ' HA2' ' A' ' 14' ' ' GLY . 27.6 p -59.31 -20.71 56.73 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.841 -0.618 . . . . 0.97 112.175 -173.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.33 -28.45 29.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.113 0.483 . . . . 2.57 110.713 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.02 -1.43 57.74 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.835 -0.62 . . . . 1.07 112.092 -179.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -76.52 -47.07 23.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.788 0.328 . . . . 2.64 111.582 -177.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.592 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 9.0 mttp -91.54 130.54 37.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.311 -0.404 . . . . 1.2 111.399 -178.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.843 HG22 ' HB3' ' A' ' 30' ' ' ARG . 4.4 t -138.87 125.3 24.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 108.95 -0.759 . . . . 0.83 108.95 176.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -129.5 117.38 20.4 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.042 -0.725 . . . . 0.33 109.042 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.501 HG22 ' HB2' ' A' ' 26' ' ' GLU . 1.1 m -109.67 124.49 51.28 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.709 0.766 . . . . 0.32 112.037 -171.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 t -109.55 103.07 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 114.611 -1.177 . . . . 0.23 110.738 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.3 OUTLIER -70.86 116.87 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.708 . . . . 0.63 109.405 175.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.45 -17.52 63.9 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.82 -1.082 . . . . 1.24 113.063 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.506 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 29.3 t -66.29 -15.1 62.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.771 0.319 . . . . 1.08 110.84 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.1 p -102.87 4.6 37.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.579 -0.282 . . . . 0.36 110.843 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.4 mm -100.59 130.59 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.03 0.443 . . . . 0.36 110.879 178.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -91.35 -47.18 7.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.688 -0.687 . . . . 0.7 110.916 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.583 ' HB3' HG13 ' A' ' 63' ' ' ILE . 40.3 tptt -133.62 169.97 16.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.425 0.631 . . . . 1.56 110.138 -175.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 0.7 OUTLIER -146.0 137.52 24.87 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.224 -0.898 . . . . 1.37 108.86 176.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -144.15 138.11 27.92 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.033 0.444 . . . . 2.28 111.522 -177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.587 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -112.01 166.54 11.14 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.598 -0.728 . . . . 0.43 109.308 175.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -63.43 137.05 96.97 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-O 120.803 0.335 . . . . 0.55 111.108 178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.07 155.16 24.73 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.385 2.723 . . . . 1.1 112.049 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.75 -17.86 61.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.883 -0.599 . . . . 1.58 111.903 -176.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.6 p -84.72 -4.74 59.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.08 0.467 . . . . 1.55 110.789 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.6 t -111.81 127.64 55.87 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.32 110.039 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -40.98 71.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.593 -0.73 . . . . 2.37 111.158 176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -57.37 122.72 13.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.891 0.745 . . . . 2.29 111.679 -167.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.676 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.4 mpp? -77.12 116.1 17.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.729 -0.669 . . . . 1.13 111.191 -177.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.412 ' HG2' ' CZ3' ' B' ' 31' ' ' TRP . 10.4 tpp -153.32 137.06 16.09 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.96 -0.563 . . . . 0.63 111.899 -176.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -119.94 147.79 44.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.474 -0.565 . . . . 0.48 109.474 170.034 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.9 mtp180 -116.94 141.89 47.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.879 -0.601 . . . . 2.37 111.584 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.615 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -108.66 103.69 12.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.731 -1.122 . . . . 0.7 108.707 171.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.583 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.0 mm -87.84 99.51 8.86 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.284 -0.635 . . . . 0.41 109.284 -176.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -70.52 148.91 46.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.534 -0.841 . . . . 0.37 112.744 -175.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 55.1 mttt -69.39 159.37 33.32 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.668 0.747 . . . . 1.16 112.09 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG23 ' HZ1' ' A' ' 71' ' ' LYS . 27.1 m -116.93 109.62 28.52 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 114.649 -1.159 . . . . 1.48 109.201 171.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.61 145.78 47.72 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.403 -0.591 . . . . 4.14 109.403 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -62.76 -23.46 67.22 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 116.125 -0.489 . . . . 4.61 111.76 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.0 m -87.36 -8.57 56.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.065 0.459 . . . . 4.68 110.795 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -86.08 -6.46 59.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 116.078 -0.51 . . . . 6.99 110.981 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HZ1' HG23 ' A' ' 66' ' ' VAL . 11.9 mptt -55.25 153.1 7.37 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.993 0.425 . . . . 8.2 110.906 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -133.67 167.87 19.73 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.101 -0.5 . . . . 10.67 111.478 -169.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 78' ' ' ASN . 53.3 mtmt -120.33 147.9 44.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.543 -0.753 . . . . 8.97 109.899 175.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.75 -172.25 3.92 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.541 -0.754 . . . . 8.74 110.156 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -60.33 -33.06 71.87 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.299 0.481 . . . . 11.37 112.299 -172.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -96.51 17.88 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.982 0.42 . . . . 11.2 110.931 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.99 46.08 46.77 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.859 -0.686 . . . . 8.81 111.624 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 2.7 m-20 -96.65 109.65 22.23 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 108.001 -1.111 . . . . 8.6 108.001 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -64.5 70.0 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.352 0 CA-C-N 114.506 -1.225 . . . . 8.38 111.065 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.58 142.62 13.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 114.87 -1.059 . . . . 5.39 110.925 -176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 p -74.56 127.93 86.55 Favored Pre-proline 0 N--CA 1.444 -0.757 0 CA-C-N 115.977 -0.556 . . . . 4.27 110.07 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HE3' ' A' ' 71' ' ' LYS . 61.6 Cg_endo -74.47 135.17 19.76 Favored 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 122.742 2.294 . . . . 2.92 112.237 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.537 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 12.2 mptt -78.98 123.81 84.96 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.51 -0.768 . . . . 4.42 109.709 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.513 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 73.8 Cg_exo -53.51 128.76 30.67 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.799 2.999 . . . . 0.94 112.404 -176.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -79.03 117.04 19.72 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.566 -0.743 . . . . 2.01 109.614 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -106.32 147.93 28.61 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 121.572 0.701 . . . . 2.24 112.012 -173.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.615 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 66.6 m-70 -102.83 153.86 19.76 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.566 -1.272 . . . . 0.6 107.566 175.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.414 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 33.3 ttm -135.88 128.83 31.32 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.12 -0.632 . . . . 0.73 110.977 -178.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -126.87 137.74 53.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.148 -0.478 . . . . 0.94 110.307 -178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.4 t -106.99 134.38 50.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.715 0.293 . . . . 1.3 111.142 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 68.3 m-85 -113.29 179.8 3.86 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.321 -0.622 . . . . 0.32 109.321 173.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -125.52 20.07 7.98 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.523 . . . . 1.17 110.407 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.531 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 23.9 t-20 -147.24 129.9 16.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 1.62 110.379 -178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HD2' ' SD ' ' A' ' 58' ' ' MET . 18.6 mmm180 -68.26 -36.96 80.24 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 3.68 111.165 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.531 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 44.7 m -64.85 -46.89 79.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.989 -0.55 . . . . 0.5 110.809 178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.72 -51.53 26.64 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 CA-C-N 115.996 -0.547 . . . . 0.27 110.382 172.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.676 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 21.4 mtp -46.46 -64.28 0.8 Allowed 'General case' 0 C--O 1.218 -0.581 0 O-C-N 123.37 0.419 . . . . 0.84 111.837 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.609 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.7 t70 -53.43 -38.89 63.92 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.513 0.508 . . . . 0.67 111.735 -176.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -67.33 -61.11 2.07 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.092 0.245 . . . . 1.55 110.849 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.78 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.9 mm -54.33 -48.02 68.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 N-CA-C 109.809 -0.441 . . . . 0.22 109.809 176.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.609 ' HB2' HD21 ' A' ' 60' ' ' LEU . 4.0 ttpp -47.65 -55.65 8.94 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.697 -0.683 . . . . 0.92 110.666 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.59 -51.46 62.62 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.883 -0.599 . . . . 1.41 111.324 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.54 ' O ' HG13 ' A' ' 107' ' ' ILE . 28.3 m -46.37 -54.46 9.0 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 123.893 0.745 . . . . 0.27 110.98 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -68.9 -51.14 43.25 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.057 -0.974 . . . . 1.03 109.667 -174.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.547 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -50.77 -46.96 59.71 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.123 -0.944 . . . . 1.72 111.787 -179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 54.6 mt-30 -67.95 -43.86 78.11 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.127 -0.488 . . . . 2.21 111.291 -177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 103' ' ' THR . 59.1 mt -64.47 -38.89 83.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.826 0.346 . . . . 0.39 110.279 177.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 77.0 mt -57.44 -45.32 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.4 110.109 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.422 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 42.2 t -63.72 -32.9 74.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.496 -0.775 . . . . 1.32 110.743 178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 96.6 mtt180 -63.1 -34.46 77.64 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.66 -0.246 . . . . 2.87 110.847 177.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -88.13 -15.8 35.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.302 0.572 . . . . 2.75 110.501 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 60.6 mttt -71.61 -54.15 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.553 -0.749 . . . . 1.63 110.071 173.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.93 -36.85 48.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.655 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.33 17.94 10.79 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.38 -1.282 . . . . 1.33 112.618 172.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.5 t70 . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.758 -0.639 . . . . 2.23 110.509 179.512 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 111.59 0.218 . . . . 3.79 111.59 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 10.7 p -74.0 -54.67 7.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.729 0.3 . . . . 2.78 111.467 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 97.7 mt-30 -61.61 -29.47 70.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.475 . . . . 3.58 110.347 178.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -69.67 -31.94 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.478 -0.783 . . . . 2.67 110.367 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.54 -40.8 63.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.696 -0.684 . . . . 2.16 110.386 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.742 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 62.7 m-85 -60.76 -37.88 83.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 1.84 110.764 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 95.2 mt -64.59 -31.69 73.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.096 -0.502 . . . . 2.39 110.324 175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -80.5 -50.12 10.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.802 -0.636 . . . . 2.91 112.158 -175.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.742 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 33.9 p-90 -72.84 -31.54 64.85 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.42 -0.512 . . . . 1.06 111.26 -174.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.543 ' O ' ' HG3' ' B' ' 35' ' ' GLU . 1.3 t-105 -73.36 -47.29 43.47 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 120.26 -0.576 . . . . 1.02 110.071 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.477 ' HD2' ' OE1' ' B' ' 35' ' ' GLU . 20.5 tpt180 -65.24 -35.48 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 3.37 110.713 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -65.13 -39.0 92.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 1.9 110.757 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.525 ' HA ' ' NE2' ' B' ' 37' ' ' GLN . 14.2 mt-10 -78.47 -25.12 45.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.648 -0.251 . . . . 2.32 111.293 179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' B' ' 31' ' ' TRP . 41.3 mt-10 -62.13 -27.44 68.94 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.51 0.195 . . . . 3.14 111.034 177.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.0 -18.47 64.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.754 0.312 . . . . 2.58 111.074 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.525 ' NE2' ' HA ' ' B' ' 34' ' ' GLU . 1.8 mp0 -89.06 -20.13 24.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 3.65 110.693 179.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -97.3 -39.41 9.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.469 -0.332 . . . . 3.22 110.474 179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 49.6 tpp 72.23 -59.36 0.56 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.958 0.903 . . . . 4.43 111.596 177.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.619 -1.101 . . . . 6.18 112.123 178.523 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.478 0.593 0 N-CA-C 110.819 -0.493 . . . . 3.6 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p 58.8 3.56 0.32 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.765 1.226 . . . . 1.99 113.944 174.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -90.07 -5.05 56.99 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.92 -0.487 . . . . 0.61 111.479 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 13.0 p -153.89 159.28 41.7 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.557 0.694 . . . . 0.28 112.341 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.25 152.51 9.38 Favored Glycine 0 CA--C 1.498 -1.024 0 CA-C-N 114.39 -1.277 . . . . 0.15 110.419 -177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.56 117.75 9.19 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-O 121.532 0.682 . . . . 0.19 111.7 -173.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.692 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.15 172.26 9.64 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.861 -1.063 . . . . 0.16 109.466 -178.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.654 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.6 mp -131.43 134.38 60.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 116.315 -0.402 . . . . 0.36 109.918 -178.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.613 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 46.0 t80 -147.92 130.52 15.89 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.22 -0.659 . . . . 0.39 109.22 -175.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.613 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 49.9 mt-10 63.23 37.65 11.04 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.601 0.715 . . . . 1.33 110.917 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.17 4.4 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.663 -1.153 . . . . 2.23 113.443 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.519 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -108.33 148.78 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.679 -0.86 . . . . 0.26 108.679 171.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.654 ' HA ' HG13 ' A' ' 8' ' ' ILE . 8.2 m -97.06 154.81 17.1 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 116.228 -0.442 . . . . 1.29 111.547 -175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -172.98 -149.81 7.03 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.17 111.849 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.614 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.63 145.73 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.459 . . . . 0.18 109.762 174.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -99.9 132.56 45.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 N-CA-C 107.073 -1.454 . . . . 0.17 107.073 171.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.36 110.8 6.7 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.931 0.395 . . . . 0.15 111.918 -170.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.697 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.6 mp -92.63 123.98 44.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.145 0.498 . . . . 0.23 110.069 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -115.02 128.09 56.06 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.423 -0.808 . . . . 1.36 111.463 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 22.5 mt-10 -120.62 71.99 0.94 Allowed 'General case' 0 N--CA 1.429 -1.478 0 N-CA-C 108.076 -1.083 . . . . 1.47 108.076 166.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.08 -24.77 10.13 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-O 123.188 1.471 . . . . 3.67 108.1 165.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 23' ' ' SER . 27.1 m -107.12 -170.43 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.229 0 CA-C-N 111.756 -2.475 . . . . 0.9 111.245 -162.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.498 ' O ' HG23 ' A' ' 22' ' ' VAL . 14.5 m -73.04 169.34 18.12 Favored Pre-proline 0 C--N 1.313 -0.983 0 N-CA-C 105.616 -1.994 . . . . 1.23 105.616 174.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.553 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 51.1 Cg_exo -34.19 125.49 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.719 0 C-N-CA 122.659 2.239 . . . . 0.56 113.745 -146.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.583 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -36.78 130.1 0.78 Allowed 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 113.445 -1.707 . . . . 0.27 112.769 -166.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.7 mt-10 -116.48 150.02 38.57 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 120.24 -0.584 . . . . 0.69 109.824 -176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -102.35 128.72 48.8 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.656 -0.868 . . . . 0.59 108.656 179.345 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.5 m -122.19 107.88 12.66 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 116.119 -0.491 . . . . 0.22 111.088 -170.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 86.3 t90 -90.42 119.98 31.15 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.089 -0.708 . . . . 0.22 109.089 172.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.847 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -121.46 124.84 45.43 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.75 -0.659 . . . . 1.93 110.25 177.163 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.429 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 95.2 p -58.3 150.4 22.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.247 -0.888 . . . . 0.27 109.99 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.407 HG23 ' HA2' ' A' ' 14' ' ' GLY . 23.7 p -49.75 -37.36 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.963 0.357 . . . . 0.97 111.963 -173.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -29.19 69.59 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.22 -0.446 . . . . 2.57 111.661 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.12 3.28 57.89 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.094 -0.574 . . . . 1.07 111.818 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.27 -62.62 1.62 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.12 0.486 . . . . 2.64 110.692 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.623 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 4.3 mttp -79.43 120.63 24.11 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.2 111.326 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.847 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.8 t -131.01 120.41 47.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 108.922 -0.769 . . . . 0.83 108.922 176.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' THR . 22.4 m-70 -121.16 122.55 40.24 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.388 -0.597 . . . . 0.33 109.388 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.3 129.04 56.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.24 0.543 . . . . 0.32 111.59 -172.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.6 t -118.49 101.61 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.202 -0.908 . . . . 0.23 110.353 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -69.74 115.54 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.596 0.712 . . . . 0.63 109.384 176.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.1 mt -64.4 -15.71 61.02 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.903 -1.044 . . . . 1.24 112.971 -169.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.553 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 21.6 t -68.23 -17.44 64.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.672 0.272 . . . . 1.08 110.567 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.4 p -95.8 1.47 53.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.36 110.934 -178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.521 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 14.7 mm -102.21 140.59 20.28 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.36 111.043 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 22.9 t70 -104.19 -44.42 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.859 -0.61 . . . . 0.7 111.239 -177.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' HG13 ' A' ' 63' ' ' ILE . 46.8 tptt -133.07 167.02 21.08 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.202 0.525 . . . . 1.56 110.106 -175.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.98 130.98 23.13 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.544 -0.753 . . . . 1.37 109.694 178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 16.1 mm-40 -124.95 155.38 39.69 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.611 -0.722 . . . . 2.28 110.265 -177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' A' ' 59' ' ' MET . . . -149.02 163.75 36.61 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.244 -0.435 . . . . 0.43 110.155 -177.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.5 146.53 91.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.845 0.355 . . . . 0.55 111.645 178.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -59.39 134.49 59.0 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.841 2.361 . . . . 1.1 111.921 175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.54 -14.15 56.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 1.58 111.449 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 p -74.77 -13.58 60.61 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.949 -0.569 . . . . 1.55 110.434 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.2 t -102.11 158.26 16.29 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.115 -0.698 . . . . 1.32 109.115 176.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -85.58 -36.32 20.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.139 -0.482 . . . . 2.37 110.941 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -69.32 145.03 53.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.224 0.535 . . . . 2.29 111.213 -174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.425 ' HB3' ' HB3' ' A' ' 97' ' ' MET . 0.1 OUTLIER -116.66 119.16 34.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.844 -0.616 . . . . 1.13 110.685 -172.59 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' ALA . 13.1 tpp -138.35 132.93 32.3 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.62 -0.263 . . . . 0.63 110.624 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -114.62 146.2 41.11 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.811 -0.44 . . . . 0.48 109.811 175.154 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.528 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 81.8 mtm180 -124.82 137.19 54.32 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.601 0.715 . . . . 2.37 111.586 171.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.599 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.1 mm? -102.96 102.79 12.86 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.086 -1.415 . . . . 0.7 108.709 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.1 mm -87.61 100.54 10.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 109.717 -0.475 . . . . 0.41 109.717 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -66.97 151.39 52.45 Favored Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.545 -0.836 . . . . 0.37 112.802 -176.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 66.2 mttt -71.2 154.49 41.64 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-O 122.32 1.057 . . . . 1.16 112.103 -178.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.519 ' HB ' ' HG2' ' A' ' 82' ' ' PRO . 16.1 m -120.54 146.06 25.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 CA-C-N 113.145 -1.843 . . . . 1.48 110.542 177.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.497 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 5.3 m-20 -104.5 122.51 45.7 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 108.374 -0.973 . . . . 4.14 108.374 168.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.0 -19.49 64.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.185 -0.461 . . . . 4.61 110.937 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.5 p -84.42 -6.16 59.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.121 -0.491 . . . . 4.68 112.101 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.497 ' HD2' ' HB2' ' A' ' 67' ' ' ASP . 80.2 mttt -86.52 -32.61 20.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.886 0.374 . . . . 6.99 110.293 177.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -92.42 155.21 18.02 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.104 -0.702 . . . . 8.2 109.104 170.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -96.64 149.66 21.54 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 122.183 0.992 . . . . 10.67 112.211 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -75.55 154.81 36.59 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 113.657 -1.61 . . . . 8.97 110.843 178.655 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -80.3 -175.83 5.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.87 -0.605 . . . . 8.74 109.491 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -59.41 -32.09 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.021 0.439 . . . . 11.37 111.172 -175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.12 6.13 30.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.136 -0.483 . . . . 11.2 111.385 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.403 ' HA2' ' HB2' ' A' ' 73' ' ' LYS . . . 60.52 32.91 79.52 Favored Glycine 0 N--CA 1.448 -0.535 0 CA-C-N 115.675 -0.693 . . . . 8.81 112.9 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -47.14 -34.56 6.25 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.958 0.725 . . . . 8.6 112.958 174.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 46.1 mt-10 57.57 67.61 0.95 Allowed 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.1 -0.704 . . . . 8.38 109.1 -172.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.08 148.33 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.029 -0.987 . . . . 5.39 111.121 -173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.7 p -90.99 125.43 58.83 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.585 -0.734 . . . . 4.27 109.728 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.519 ' HG2' ' HB ' ' A' ' 66' ' ' VAL . 58.0 Cg_endo -72.61 152.01 53.19 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 122.432 2.088 . . . . 2.92 111.832 -176.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 5.6 ptpp? -66.95 119.91 67.69 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.465 0.65 . . . . 4.42 110.795 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.548 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 51.1 Cg_exo -59.38 141.08 97.1 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 124.116 3.21 . . . . 0.94 113.67 -175.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -83.9 117.8 23.56 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.053 -0.721 . . . . 2.01 109.053 174.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 8.7 ptt180 -111.56 159.7 17.89 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.261 0.553 . . . . 2.24 111.86 -172.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 48.3 m-70 -116.53 146.59 42.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.3 -1.0 . . . . 0.6 108.3 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 30.5 ttm -127.94 129.89 47.55 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.051 -0.66 . . . . 0.73 111.257 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -125.47 136.96 53.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.052 0.453 . . . . 0.94 110.124 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.531 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 19.3 m -97.5 151.69 19.76 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 115.445 -0.798 . . . . 1.3 109.498 178.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.692 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 58.9 m-85 -128.45 178.53 6.22 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.042 -0.725 . . . . 0.32 109.042 168.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -134.35 30.72 3.53 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.78 -0.646 . . . . 1.17 110.155 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.437 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.6 t-20 -149.17 121.46 8.4 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.593 -0.892 . . . . 1.62 108.593 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HA ' ' HG2' ' A' ' 97' ' ' MET . 6.6 ttp180 -72.71 -26.71 61.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 3.68 111.177 -171.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.437 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 21.7 m -67.5 -47.01 71.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.315 -0.402 . . . . 0.5 110.388 172.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.9 t -49.98 -58.3 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 CA-C-N 115.838 -0.619 . . . . 0.27 111.623 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.638 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.4 ptm -53.88 -48.08 70.42 Favored 'General case' 0 C--O 1.213 -0.825 0 C-N-CA 120.803 -0.359 . . . . 0.84 111.805 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.638 ' N ' ' HG3' ' A' ' 97' ' ' MET . 18.2 t70 -60.8 -43.35 98.24 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 123.744 0.653 . . . . 0.67 111.672 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -63.89 -51.32 65.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.457 -0.338 . . . . 1.55 110.753 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.808 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.4 mm -58.1 -46.97 88.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.769 -0.65 . . . . 0.22 109.593 174.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' HD3' ' HA ' ' A' ' 98' ' ' ASP . 25.3 mtpt -42.51 -64.97 0.52 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.419 0.628 . . . . 0.92 111.707 175.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.2 ttp -57.91 -48.3 80.27 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.551 -1.204 . . . . 1.41 111.909 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 m -55.41 -48.05 74.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.486 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.8 mp -71.56 -49.46 40.49 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.329 0.585 . . . . 1.03 109.524 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.25 -51.41 54.34 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.53 -1.214 . . . . 1.72 111.782 -177.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -67.23 -43.16 82.7 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.875 0.324 . . . . 2.21 111.875 -176.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 103' ' ' THR . 64.7 mt -62.26 -41.07 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 110.007 -0.368 . . . . 0.39 110.007 177.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.7 mt -55.95 -51.86 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.4 110.562 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.3 m -64.42 -23.35 67.25 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 115.706 -0.679 . . . . 1.32 111.451 -177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.8 -31.04 56.7 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 120.992 0.425 . . . . 2.87 110.115 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -87.19 -16.84 34.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 2.75 109.954 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -75.43 -60.1 2.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.458 -0.792 . . . . 1.63 109.57 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.22 -29.18 67.07 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.747 -1.115 . . . . 1.6 110.954 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 60.88 24.49 14.48 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 114.903 -1.044 . . . . 1.33 111.083 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.357 -0.838 . . . . 2.23 110.57 -177.526 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.583 0.23 . . . . 3.79 111.085 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 5.4 p -66.84 -51.23 58.01 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.869 0.322 . . . . 2.78 111.869 -176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 65.1 tt0 -68.53 -27.51 66.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.981 0.419 . . . . 3.58 110.011 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.77 -38.73 86.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 2.67 110.342 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -59.49 -47.25 86.25 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.977 -0.556 . . . . 2.16 110.652 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.589 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 53.6 m-85 -62.21 -24.46 67.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.937 -0.574 . . . . 1.84 111.569 -178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 90.1 mt -78.85 -51.32 9.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 2.39 110.584 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -42.26 59.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 2.91 112.4 -173.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.589 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.8 p-90 -67.14 -34.09 76.82 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.742 -0.383 . . . . 1.06 110.783 -173.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -68.78 -40.21 79.79 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-O 121.149 0.5 . . . . 1.02 110.055 -177.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -72.82 -25.27 61.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.903 -0.59 . . . . 3.37 110.404 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' B' ' 37' ' ' GLN . 34.0 t -69.72 -45.18 68.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.163 -0.471 . . . . 1.9 109.752 173.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 46.9 mm-40 -65.06 -42.69 93.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.306 -0.406 . . . . 2.32 110.387 177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -59.16 -35.82 74.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.821 -0.627 . . . . 3.14 110.163 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.03 77.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.632 -0.713 . . . . 2.58 110.984 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' B' ' 33' ' ' SER . 12.5 mm100 -66.55 -30.83 71.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 3.65 110.843 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.57 -32.9 68.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.14 0.495 . . . . 3.22 110.156 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ttt -73.14 -45.77 54.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.589 -0.732 . . . . 4.43 110.527 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.943 -0.92 . . . . 6.18 112.068 179.618 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo . . . . . 0 N--CA 1.478 0.582 0 N-CA-C 110.5 -0.615 . . . . 3.6 110.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.62 ' HA ' ' OD1' ' A' ' 99' ' ' ASN . 11.8 p -131.79 143.14 49.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.095 -0.335 . . . . 1.99 110.095 178.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 2' ' ' SER . 35.2 m80 70.61 -16.36 0.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.292 0.637 . . . . 0.61 111.384 -174.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 15.9 p -147.41 167.12 25.17 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.387 0.613 . . . . 0.28 111.313 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.2 149.53 6.57 Favored Glycine 0 N--CA 1.438 -1.232 0 CA-C-N 114.562 -1.199 . . . . 0.15 110.266 -178.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.8 120.28 13.26 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.416 0.627 . . . . 0.19 111.119 -174.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.754 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.3 172.78 10.31 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.157 -0.929 . . . . 0.16 109.693 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.06 133.68 62.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.191 0 N-CA-C 109.95 -0.389 . . . . 0.36 109.95 -177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.614 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 49.4 t80 -149.9 136.89 19.51 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.899 -0.778 . . . . 0.39 108.899 -175.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.614 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 44.6 mt-10 62.21 34.3 16.17 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.319 0.581 . . . . 1.33 111.184 -177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.2 11.87 5.66 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.663 -1.153 . . . . 2.23 112.554 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.525 HG13 ' HH2' ' A' ' 29' ' ' TRP . 1.8 p -116.81 149.0 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 108.778 -0.823 . . . . 0.26 108.778 172.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.9 m -91.57 154.1 19.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.155 0.502 . . . . 1.29 111.717 -177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.531 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -169.71 -154.51 9.3 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.501 -0.772 . . . . 0.17 111.898 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.615 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -121.97 145.75 28.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.454 -0.572 . . . . 0.18 109.454 172.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.554 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.44 132.65 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 N-CA-C 107.256 -1.387 . . . . 0.17 107.256 170.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.3 106.64 5.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.323 0.49 . . . . 0.15 112.323 -170.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.485 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.5 mp -86.44 119.21 34.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.651 -0.499 . . . . 0.23 109.651 176.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -108.09 124.27 49.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.624 -0.716 . . . . 1.36 111.27 -174.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -119.24 71.66 0.87 Allowed 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 107.861 -1.163 . . . . 1.47 107.861 168.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -112.91 -24.1 9.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 122.866 1.317 . . . . 3.67 108.419 165.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.24 -170.42 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 112.394 -2.185 . . . . 0.9 111.65 -162.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.461 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 61.6 m -74.33 170.91 12.78 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 105.939 -1.874 . . . . 1.23 105.939 172.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 52.3 Cg_exo -33.69 125.81 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 122.524 2.15 . . . . 0.56 113.691 -143.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -39.67 131.78 1.73 Allowed 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 113.865 -1.516 . . . . 0.27 112.216 -167.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.89 147.48 42.16 Favored 'General case' 0 C--N 1.312 -1.046 0 C-N-CA 120.234 -0.587 . . . . 0.69 110.327 -176.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -102.32 128.69 48.78 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.606 -0.887 . . . . 0.59 108.606 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 3.1 m -120.38 107.35 12.81 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 116.279 -0.419 . . . . 0.22 110.88 -173.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 84.0 t90 -89.17 122.55 32.57 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.179 -1.045 . . . . 0.22 108.179 170.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.896 ' HB3' HG22 ' A' ' 37' ' ' VAL . 0.4 OUTLIER -133.23 127.72 34.33 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 121.51 0.671 . . . . 1.93 111.09 178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 81.5 p -60.42 142.74 54.62 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.113 -1.403 . . . . 0.27 109.81 -175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.531 HG23 ' HA2' ' A' ' 14' ' ' GLY . 13.5 p -56.34 -23.21 35.83 Favored 'General case' 0 N--CA 1.462 0.142 0 O-C-N 123.756 0.66 . . . . 0.97 111.954 -173.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -69.42 -27.34 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.967 -0.56 . . . . 2.57 111.116 178.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.63 -1.02 56.8 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 121.166 -0.54 . . . . 1.07 112.393 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -84.93 -62.91 1.43 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.742 0.306 . . . . 2.64 111.694 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 8.9 mttp -75.99 129.72 37.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.209 -0.45 . . . . 1.2 111.409 -178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.896 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -141.37 124.46 15.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.94 -0.763 . . . . 0.83 108.94 176.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' THR . 18.1 m-70 -128.35 122.64 31.98 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.8 -0.444 . . . . 0.33 109.8 -177.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.41 120.1 40.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.374 0.606 . . . . 0.32 112.152 -170.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.7 t -108.83 102.12 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.105 -0.952 . . . . 0.23 110.491 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.19 117.15 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.323 0.583 . . . . 0.63 109.461 175.835 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 2.7 mm? -51.25 -27.59 9.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.009 -0.996 . . . . 1.24 113.636 -173.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.469 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 13.9 t -61.38 -16.59 47.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.736 0.303 . . . . 1.08 111.494 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.3 p -102.19 3.48 38.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.973 0.416 . . . . 0.36 110.639 -177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.48 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 22.4 mm -98.91 140.24 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.36 110.647 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -99.23 -44.23 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.943 -0.571 . . . . 0.7 110.478 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.564 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 47.8 tptt -144.56 175.14 10.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 1.56 109.774 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.657 HD21 ' HG2' ' A' ' 105' ' ' GLN . 2.4 pt? -140.86 153.66 45.83 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 108.582 -0.895 . . . . 1.37 108.582 168.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -137.57 140.04 40.77 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.908 -0.404 . . . . 2.28 109.908 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.17 150.93 49.78 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.211 -0.449 . . . . 0.43 110.631 -177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.584 HG21 ' CH2' ' B' ' 30' ' ' TRP . 4.5 p -69.82 147.1 96.06 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.853 -0.612 . . . . 0.55 112.119 -176.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' HG3' ' HB3' ' B' ' 34' ' ' GLU . 16.1 Cg_endo -55.84 140.87 85.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 123.836 3.024 . . . . 1.1 112.458 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.61 -18.76 65.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 1.58 111.336 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.2 p -70.83 -31.98 68.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.987 -0.551 . . . . 1.55 110.173 177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.5 m -83.7 143.52 29.99 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.795 -0.638 . . . . 1.32 110.407 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -77.2 -42.3 38.02 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.191 -0.459 . . . . 2.37 110.98 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -61.27 133.58 56.05 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.473 0.654 . . . . 2.29 110.772 -172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.587 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 23.5 mtm -107.74 115.09 29.52 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.831 -1.077 . . . . 1.13 111.217 -167.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.477 ' SD ' ' HA ' ' A' ' 90' ' ' SER . 5.9 tpp -143.06 139.83 30.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.976 -0.556 . . . . 0.63 111.778 -172.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD11 ' HG3' ' A' ' 101' ' ' LYS . 1.0 OUTLIER -121.01 145.74 47.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.704 -0.48 . . . . 0.48 109.704 168.769 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -112.89 151.35 30.57 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.827 -0.624 . . . . 2.37 110.564 173.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.3 mm? -114.42 105.68 13.41 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.732 -1.21 . . . . 0.7 107.732 174.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.548 HD13 ' HG2' ' A' ' 86' ' ' ARG . 1.4 mm -88.31 97.79 7.11 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.138 0 N-CA-C 108.444 -0.947 . . . . 0.41 108.444 -176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -76.73 151.17 39.01 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.427 -0.892 . . . . 0.37 112.643 -173.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -64.3 156.74 28.05 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.814 0.816 . . . . 1.16 112.017 -177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 17.3 m -114.99 167.13 7.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.498 -1.228 . . . . 1.48 110.281 -177.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.3 98.64 8.99 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.703 -0.681 . . . . 4.14 109.969 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.57 -42.76 97.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 115.929 -0.578 . . . . 4.61 111.46 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 p -71.28 -21.39 62.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 4.68 111.878 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -72.75 -34.18 66.85 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.909 0.385 . . . . 6.99 110.645 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -92.77 158.73 15.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.614 0.721 . . . . 8.2 111.606 -176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 -126.58 161.46 27.97 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.676 -1.147 . . . . 10.67 110.222 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -75.33 167.97 20.9 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.725 -0.67 . . . . 8.97 110.38 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -83.41 -173.47 4.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.848 -0.615 . . . . 8.74 109.643 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.434 ' OD1' ' HG3' ' A' ' 76' ' ' GLU . 30.2 p30 -67.88 -15.97 63.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.357 0.526 . . . . 11.37 111.528 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HG3' ' OD1' ' A' ' 75' ' ' ASN . 44.9 mt-10 -102.35 13.26 35.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.923 0.392 . . . . 11.2 110.547 174.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 58.12 43.47 95.24 Favored Glycine 0 C--N 1.331 0.285 0 CA-C-N 115.791 -0.64 . . . . 8.81 111.621 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -59.43 -39.02 82.2 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.539 0.57 . . . . 8.6 112.539 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 56.3 77.95 0.23 Allowed 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.949 -0.76 . . . . 8.38 108.949 -175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.2 m -103.78 148.1 9.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.016 -0.993 . . . . 5.39 110.308 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.3 p -80.07 128.74 72.61 Favored Pre-proline 0 C--N 1.319 -0.728 0 CA-C-N 116.124 -0.489 . . . . 4.27 110.565 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.7 146.04 23.53 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.706 2.271 . . . . 2.92 111.412 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 56.0 mttp -64.62 115.84 23.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.545 0.688 . . . . 4.42 111.137 -177.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.498 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 50.4 Cg_exo -59.54 143.87 99.57 Favored 'Trans proline' 0 C--N 1.331 -0.392 0 C-N-CA 124.328 3.352 . . . . 0.94 112.792 -178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.52 114.91 11.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.081 -0.509 . . . . 2.01 109.863 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.548 ' HG2' HD13 ' A' ' 63' ' ' ILE . 17.4 mtt180 -102.85 142.85 33.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.726 0.774 . . . . 2.24 112.941 -173.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 29.4 m-70 -116.7 140.25 49.62 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 107.293 -1.373 . . . . 0.6 107.293 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 31.0 ttm -128.07 131.25 49.1 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.147 -0.621 . . . . 0.73 110.78 -175.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' CE1' HD23 ' A' ' 62' ' ' LEU . 16.6 m-85 -128.99 137.42 51.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.818 0.342 . . . . 0.94 110.499 -177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.63 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 36.8 m -100.07 131.74 45.85 Favored 'General case' 0 C--O 1.214 -0.77 0 CA-C-N 115.842 -0.617 . . . . 1.3 111.337 -177.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.754 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 88.1 m-85 -113.38 176.98 4.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.132 0.492 . . . . 0.32 110.63 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 p-10 -137.43 14.89 2.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.263 -0.88 . . . . 1.17 111.336 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -138.22 142.15 39.96 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.113 0.482 . . . . 1.62 110.389 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.587 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 28.7 mmt-85 -70.7 -42.82 70.16 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 115.339 -0.846 . . . . 3.68 111.372 -170.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 m -64.97 -47.22 78.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.311 -0.404 . . . . 0.5 110.951 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.5 t -46.35 -51.39 4.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 O-C-N 123.576 0.548 . . . . 0.27 111.266 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.534 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 3.9 mtp -44.52 -60.09 2.13 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 112.303 0.483 . . . . 0.84 112.303 174.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 18.6 t70 -69.87 -34.03 73.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.67 111.297 -173.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.62 ' OD1' ' HA ' ' A' ' 2' ' ' SER . 8.6 t-20 -69.35 -52.48 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.078 -0.342 . . . . 1.55 110.078 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.8 mm -59.32 -40.51 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.22 109.841 175.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 60' ' ' LEU . 2.4 mtmt -50.66 -64.89 0.67 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.631 -0.713 . . . . 0.92 110.536 173.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.2 ttm -55.47 -50.3 70.23 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 114.617 -1.174 . . . . 1.41 111.744 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -49.23 -57.82 6.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.27 111.218 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.19 -55.91 26.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.971 -0.559 . . . . 1.03 111.116 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.657 ' HG2' HD21 ' A' ' 48' ' ' LEU . 16.4 tm0? -44.05 -54.53 5.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.846 -1.07 . . . . 1.72 112.621 -177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.56 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 91.7 mt-30 -63.9 -44.83 91.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.741 -0.209 . . . . 2.21 110.993 -177.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 25' ' ' ALA . 75.9 mt -62.75 -44.64 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.848 0.356 . . . . 0.39 110.59 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.602 HD12 HD22 ' A' ' 48' ' ' LEU . 89.0 mt -54.75 -44.92 73.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.188 0.518 . . . . 0.4 110.461 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.2 t -69.76 -30.62 68.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.564 -0.744 . . . . 1.32 110.888 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 106' ' ' GLN . 99.4 mtt180 -62.13 -33.2 74.02 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.207 0.527 . . . . 2.87 110.65 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.452 ' CE2' HG22 ' A' ' 107' ' ' ILE . 25.1 m-85 -86.82 -10.97 52.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 2.75 110.25 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -86.14 -50.01 7.33 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.284 -0.871 . . . . 1.63 110.638 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -70.82 -37.97 73.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.489 0.661 . . . . 1.6 109.335 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 61.55 16.63 7.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 114.277 -1.329 . . . . 1.33 113.062 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.922 -0.561 . . . . 2.23 110.29 179.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.281 0.086 . . . . 3.79 111.17 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 8.2 p -58.02 -47.24 83.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.512 0.56 . . . . 2.78 112.512 -175.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -67.98 -27.81 66.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.03 0.443 . . . . 3.58 110.531 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -79.55 -29.97 41.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.619 . . . . 2.67 110.411 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -58.06 -34.31 69.98 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.071 -0.513 . . . . 2.16 110.539 176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.688 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 60.5 m-85 -67.97 -14.42 62.95 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.195 -0.457 . . . . 1.84 111.744 -178.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.6 tp -90.88 -40.18 11.89 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.139 -0.689 . . . . 2.39 109.139 172.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -65.84 -50.4 64.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.203 -0.908 . . . . 2.91 112.262 -176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.688 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.8 p-90 -69.01 -22.14 64.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.159 0.504 . . . . 1.06 111.025 -174.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.433 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 0.8 OUTLIER -75.55 -44.74 41.85 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.205 -178.512 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' B' ' 35' ' ' GLU . 82.0 mtt180 -88.9 -17.45 29.57 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.743 -0.662 . . . . 3.37 112.108 -175.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 60.0 p -70.73 -45.74 64.32 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.469 -0.567 . . . . 1.9 109.469 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' HB3' ' HG3' ' A' ' 52' ' ' PRO . 26.3 mm-40 -68.97 -28.71 66.87 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.098 -0.501 . . . . 2.32 110.598 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 44.2 tt0 -65.4 -35.01 79.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.165 -0.47 . . . . 3.14 110.231 175.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' B' ' 39' ' ' MET . . . -70.67 -16.81 62.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 2.58 111.373 -179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -63.78 -26.61 68.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 3.65 110.641 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -72.79 -12.76 61.12 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.253 -0.43 . . . . 3.22 111.658 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' B' ' 36' ' ' ALA . 26.6 ptt? -116.17 16.64 15.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.115 0.483 . . . . 4.43 110.055 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.628 -1.096 . . . . 6.18 111.844 -178.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.481 0.793 0 N-CA-C 111.129 -0.374 . . . . 3.6 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -103.05 135.57 44.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.533 -0.303 . . . . 1.99 110.533 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.5 m80 60.94 7.31 1.46 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.723 -0.671 . . . . 0.61 112.343 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.8 p -166.95 165.31 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.251 0.548 . . . . 0.28 111.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.08 148.91 6.1 Favored Glycine 0 N--CA 1.442 -0.932 0 CA-C-N 114.723 -1.126 . . . . 0.15 110.44 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.44 116.3 8.03 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.291 0.567 . . . . 0.19 111.614 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.93 164.01 21.71 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.264 -0.88 . . . . 0.16 109.778 -175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.673 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -124.13 139.33 50.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.27 0 N-CA-C 109.633 -0.506 . . . . 0.36 109.633 -179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -143.53 117.81 9.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.67 0.271 . . . . 0.39 110.826 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 49.47 64.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.488 -0.778 . . . . 1.33 112.851 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.63 3.43 4.67 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.388 -1.278 . . . . 2.23 113.897 170.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.511 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.8 p -126.64 146.16 32.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.044 0.449 . . . . 0.26 110.019 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.673 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.5 m -96.74 158.92 15.2 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.655 -0.702 . . . . 1.29 111.246 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.47 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -177.18 -149.16 7.61 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.026 -0.607 . . . . 0.17 112.689 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.91 147.37 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 123.498 0.719 . . . . 0.18 109.124 174.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.73 131.67 47.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 107.157 -1.423 . . . . 0.17 107.157 169.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.45 121.96 16.2 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.731 0.301 . . . . 0.15 111.164 -172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 HD11 ' A' ' 104' ' ' LEU . 2.5 mp -98.65 125.74 51.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 122.048 0.928 . . . . 0.23 112.605 -173.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.529 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 14.4 m-20 -82.68 151.6 26.18 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.366 -1.743 . . . . 1.36 110.256 174.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.629 ' C ' ' H ' ' A' ' 22' ' ' VAL . 27.6 mt-10 -121.24 -135.23 0.31 Allowed 'General case' 0 N--CA 1.42 -1.938 0 C-N-CA 126.402 1.881 . . . . 1.47 108.111 -169.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -47.45 24.14 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 128.781 2.832 . . . . 3.67 115.889 -169.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.629 ' H ' ' C ' ' A' ' 20' ' ' GLU . 29.6 m -96.33 -167.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.277 -2.559 0 N-CA-C 106.32 -1.733 . . . . 0.9 106.32 172.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.4 t -69.53 144.86 94.72 Favored Pre-proline 0 C--N 1.312 -1.057 0 N-CA-C 105.225 -2.139 . . . . 1.23 105.225 -176.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 80.8 Cg_exo -34.04 126.76 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 123.182 2.588 . . . . 0.56 114.167 -143.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.711 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -29.27 121.34 0.14 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 113.192 -1.822 . . . . 0.27 112.339 -166.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 0.9 OUTLIER -114.58 138.03 51.15 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 116.067 -0.515 . . . . 0.69 110.322 -170.161 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD13 HD21 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -101.35 125.57 48.0 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.618 0.723 . . . . 0.59 109.265 -178.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.594 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 5.9 m -114.79 107.53 15.56 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.372 -0.831 . . . . 0.22 110.637 -173.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 69.8 t90 -87.93 123.96 33.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 107.214 -1.402 . . . . 0.22 107.214 167.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.719 ' CB ' HG22 ' A' ' 37' ' ' VAL . 10.5 ptt180 -133.25 138.27 46.4 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 121.454 0.645 . . . . 1.93 110.167 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 97.0 p -68.58 156.92 37.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.633 -1.167 . . . . 0.27 110.781 -172.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 HG23 ' HA2' ' A' ' 14' ' ' GLY . 12.7 p -58.58 -23.23 58.16 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.375 -0.83 . . . . 0.97 113.062 -170.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -83.08 -20.14 35.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.036 0.446 . . . . 2.57 111.003 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.66 7.02 69.45 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 115.768 -0.651 . . . . 1.07 111.507 -178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.72 -64.34 1.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.994 0.426 . . . . 2.64 110.895 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.1 tttt -78.57 130.22 35.69 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 116.012 -0.54 . . . . 1.2 110.199 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.719 HG22 ' CB ' ' A' ' 30' ' ' ARG . 4.0 t -147.13 129.15 6.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.622 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.594 ' O ' ' HA ' ' A' ' 28' ' ' THR . 7.0 m-70 -131.24 129.18 41.27 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.437 -0.579 . . . . 0.33 109.437 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' OG1' ' A' ' 28' ' ' THR . 0.2 OUTLIER -115.78 117.17 29.48 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.382 0.61 . . . . 0.32 111.559 -172.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 57.2 t -103.39 101.11 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.241 -0.891 . . . . 0.23 111.051 -178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -69.13 115.75 8.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.041 -0.725 . . . . 0.63 109.041 174.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 45' ' ' ILE . 45.0 mt -65.05 -14.64 60.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.349 0.87 . . . . 1.24 113.349 -168.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 17.2 t -66.52 -14.79 62.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.772 0.32 . . . . 1.08 110.712 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -100.04 5.78 45.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.012 0.434 . . . . 0.36 111.056 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.528 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 25.8 mm -101.84 147.56 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-N 116.174 -0.466 . . . . 0.36 111.457 -178.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 38.5 t70 -114.97 -40.58 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.7 111.876 -176.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 5.5 tmtt? -135.26 174.48 10.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.298 0.571 . . . . 1.56 110.338 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 0.5 OUTLIER -144.18 140.41 29.31 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 108.631 -0.878 . . . . 1.37 108.631 174.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 99.2 mt-30 -128.26 142.75 51.06 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 116.42 -0.355 . . . . 2.28 110.354 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.407 ' HB3' ' HE3' ' A' ' 101' ' ' LYS . . . -144.32 145.59 32.08 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.814 -0.63 . . . . 0.43 109.518 -176.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p -61.48 134.55 93.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 121.11 0.481 . . . . 0.55 111.941 -175.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -60.4 161.53 20.08 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.501 2.801 . . . . 1.1 112.016 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.31 -22.04 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 1.58 111.352 -179.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.6 p -72.53 -31.71 65.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.074 -0.512 . . . . 1.55 110.774 178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -84.2 130.73 34.81 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.999 -0.546 . . . . 1.32 110.254 -177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.06 -40.19 60.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.677 -0.692 . . . . 2.37 111.072 176.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -67.05 147.11 53.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.731 -0.668 . . . . 2.29 111.127 -170.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.688 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 1.1 mpt? -102.03 113.43 26.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.403 -0.817 . . . . 1.13 110.833 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.4 tpp -143.85 139.06 29.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 0.63 110.971 -176.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.67 HD11 ' HG2' ' A' ' 101' ' ' LYS . 1.9 mm? -123.72 152.2 42.36 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.809 -0.632 . . . . 0.48 109.539 171.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 86.2 mtt180 -128.48 145.94 50.96 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.206 0.527 . . . . 2.37 111.323 172.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.8 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -108.05 106.18 16.29 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.01 -0.996 . . . . 0.7 108.835 171.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 11.0 mm -88.88 100.22 10.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 C-N-CA 120.87 -0.332 . . . . 0.41 110.211 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.74 152.64 50.7 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.769 -0.729 . . . . 0.37 112.457 -178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 56.7 mttt -62.78 153.67 32.14 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.726 0.774 . . . . 1.16 112.259 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 12.0 m -113.89 132.83 61.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.109 0 CA-C-N 114.369 -1.287 . . . . 1.48 109.502 176.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -75.58 89.65 2.75 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.247 0.546 . . . . 4.14 111.012 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -39.28 93.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.191 -0.913 . . . . 4.61 111.747 -176.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.0 p -72.67 -25.17 61.16 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.194 -0.457 . . . . 4.68 111.235 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -95.07 -14.28 24.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.278 -0.419 . . . . 6.99 110.671 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' A' ' 82' ' ' PRO . 41.1 mmtt -75.37 153.24 37.89 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.092 -0.504 . . . . 8.2 110.71 176.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -115.78 147.84 40.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.808 0.814 . . . . 10.67 112.355 -175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.526 ' CB ' ' H ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -86.87 166.78 14.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.181 -1.372 . . . . 8.97 111.323 178.638 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -91.87 -166.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.863 -0.608 . . . . 8.74 109.841 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.496 ' ND2' ' HG2' ' A' ' 76' ' ' GLU . 4.6 p-10 -60.62 -31.4 70.58 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.47 0.544 . . . . 11.37 112.47 -171.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.496 ' HG2' ' ND2' ' A' ' 75' ' ' ASN . 59.6 mm-40 -98.19 23.17 8.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.246 -0.284 . . . . 11.2 111.729 -179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.62 38.84 94.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.638 -0.791 . . . . 8.81 111.188 -177.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -51.33 -40.79 59.81 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.362 0.665 . . . . 8.6 112.073 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' H ' ' CB ' ' A' ' 73' ' ' LYS . 43.2 mt-10 53.26 64.9 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.449 -0.574 . . . . 8.38 109.449 -175.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 m -76.22 141.64 15.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.577 -0.738 . . . . 5.39 111.251 -169.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -80.05 121.38 81.93 Favored Pre-proline 0 N--CA 1.442 -0.857 0 N-CA-C 109.119 -0.697 . . . . 4.27 109.119 174.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.443 ' HG3' ' HG3' ' A' ' 71' ' ' LYS . 98.1 Cg_endo -81.73 171.31 13.35 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.02 2.48 . . . . 2.92 112.439 -174.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 58.1 pttt -82.43 118.64 72.59 Favored Pre-proline 0 N--CA 1.447 -0.6 0 CA-C-O 121.549 0.69 . . . . 4.42 110.048 174.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 31.7 Cg_exo -64.66 140.05 66.42 Favored 'Trans proline' 0 C--N 1.329 -0.457 0 C-N-CA 123.66 2.907 . . . . 0.94 112.869 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -73.79 115.54 13.34 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.638 -0.875 . . . . 2.01 108.638 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 15.7 ptt180 -124.55 155.1 39.59 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.281 0.563 . . . . 2.24 111.891 -172.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 83.6 m-70 -109.85 141.98 41.79 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.445 -0.946 . . . . 0.6 108.445 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 26.0 ttm -126.55 124.78 40.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.585 0.629 . . . . 0.73 111.676 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.8 ' CE2' HD23 ' A' ' 62' ' ' LEU . 2.2 m-85 -115.56 142.24 46.99 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.736 -0.666 . . . . 0.94 111.397 -176.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.534 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 49.3 m -111.51 121.98 46.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.751 -0.659 . . . . 1.3 111.17 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.835 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 74.4 m-85 -111.95 178.45 4.31 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.975 -0.75 . . . . 0.32 108.975 173.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.688 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 14.0 p30 -136.0 28.01 3.2 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.301 0.572 . . . . 1.17 110.249 174.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.508 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 21.3 t-20 -141.24 124.48 16.49 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.82 -0.808 . . . . 1.62 108.82 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -76.6 -27.48 55.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.901 0.381 . . . . 3.68 110.47 -173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.508 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 80.9 m -66.38 -49.71 65.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.5 110.181 174.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.457 HG11 ' CD1' ' A' ' 91' ' ' PHE . 41.8 t -49.63 -51.56 14.91 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 115.746 -0.661 . . . . 0.27 110.31 170.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.659 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 7.1 mtp -44.6 -64.62 0.66 Allowed 'General case' 0 C--O 1.218 -0.555 0 O-C-N 123.648 0.592 . . . . 0.84 112.192 175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.13 -36.14 72.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.673 0.273 . . . . 0.67 111.44 -173.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -70.6 -54.95 10.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.282 -0.417 . . . . 1.55 110.849 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 47.1 mm -57.27 -46.22 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 109.81 -0.441 . . . . 0.22 109.81 175.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.67 ' HG2' HD11 ' A' ' 60' ' ' LEU . 45.0 mtpt -46.31 -64.39 0.77 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.329 0.585 . . . . 0.92 110.67 175.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.7 mtm -59.15 -47.98 83.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.644 -1.162 . . . . 1.41 112.067 -178.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 107' ' ' ILE . 99.8 m -51.02 -51.56 51.87 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.343 0.592 . . . . 0.27 111.096 -177.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.9 mp -72.73 -50.68 23.06 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.218 -0.901 . . . . 1.03 109.095 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 17.0 tm0? -50.63 -51.94 44.19 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.549 -1.205 . . . . 1.72 111.805 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 19.9 mm-40 -66.29 -42.77 87.87 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.289 -0.414 . . . . 2.21 112.082 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.711 HG21 ' HB3' ' A' ' 25' ' ' ALA . 66.2 mt -65.15 -41.36 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.321 -0.552 . . . . 0.39 110.1 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 50.4 mt -53.0 -51.02 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.415 0.626 . . . . 0.4 110.204 171.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.497 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 35.6 m -66.77 -25.32 66.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-N 115.315 -0.857 . . . . 1.32 111.795 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.505 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.1 mtt180 -67.02 -31.29 71.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.013 0.435 . . . . 2.87 110.247 175.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -86.31 -15.35 40.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.396 0.617 . . . . 2.75 110.0 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 43.6 mttm -84.1 -46.55 11.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.505 -0.77 . . . . 1.63 110.58 175.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.49 -38.16 71.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.495 -0.775 . . . . 1.6 109.839 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.16 25.55 11.07 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.174 -1.375 . . . . 1.33 113.004 169.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.244 0.795 0 CA-C-O 118.436 -0.792 . . . . 2.23 110.015 176.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.612 0.244 . . . . 3.79 111.232 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.435 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 5.3 p -70.43 -55.1 9.85 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.87 0.322 . . . . 2.78 111.87 -174.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -65.56 -27.82 68.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.033 0.444 . . . . 3.58 109.909 178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.432 ' O ' ' HG2' ' B' ' 29' ' ' LYS . 7.0 m-20 -63.75 -44.55 93.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.522 -0.763 . . . . 2.67 110.268 177.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -56.57 -49.64 74.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.375 -0.83 . . . . 2.16 110.453 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.435 ' HD1' ' O ' ' B' ' 23' ' ' THR . 69.8 m-85 -67.43 -13.18 61.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 1.84 112.339 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.8 tp -94.88 -51.22 4.78 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 120.731 0.3 . . . . 2.39 110.799 178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 21.0 ptmt -75.79 -30.99 59.28 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.402 0.519 . . . . 2.91 112.402 -172.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.4 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 1.5 p-90 -65.05 -22.99 67.05 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.192 0.52 . . . . 1.06 110.711 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.466 ' HE1' ' HB3' ' A' ' 49' ' ' GLN . 0.3 OUTLIER -83.32 -19.75 35.63 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.934 -0.576 . . . . 1.02 110.201 -179.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -96.6 -34.74 11.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.724 -0.671 . . . . 3.37 110.689 -176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.49 ' O ' ' HG3' ' B' ' 37' ' ' GLN . 23.9 p -60.8 -48.58 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 1.9 111.351 -176.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.7 -34.02 74.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.543 -0.298 . . . . 2.32 111.787 -177.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.3 -30.71 69.77 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.573 -0.451 . . . . 3.14 110.083 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -28.4 65.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.191 -0.459 . . . . 2.58 110.409 177.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' B' ' 33' ' ' SER . 25.3 mt-30 -69.64 -35.55 75.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.783 -0.644 . . . . 3.65 111.418 -177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -93.98 -8.29 40.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.996 0.427 . . . . 3.22 110.486 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 12.4 tpt -77.93 -38.98 44.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.89 -0.596 . . . . 4.43 110.424 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 CA-C-O 118.084 -1.398 . . . . 6.18 111.308 -179.452 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.488 ' HB2' ' O ' ' A' ' 4' ' ' SER . 6.9 Cg_endo . . . . . 0 N--CA 1.478 0.561 0 N-CA-C 110.203 -0.73 . . . . 3.6 110.203 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -128.32 -42.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.026 0.441 . . . . 1.99 110.923 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -81.37 -13.91 57.8 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.094 -0.503 . . . . 0.61 110.873 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 20.4 p -142.6 166.7 23.95 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.413 0.625 . . . . 0.28 112.384 -175.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 173.28 148.53 6.4 Favored Glycine 0 N--CA 1.443 -0.875 0 CA-C-N 114.595 -1.184 . . . . 0.15 110.535 -178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.656 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.67 119.3 11.54 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.377 0.608 . . . . 0.19 112.048 -172.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -128.31 174.27 9.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.959 -1.019 . . . . 0.16 109.96 -177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.653 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -131.49 137.26 55.74 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 CA-C-N 116.392 -0.367 . . . . 0.36 110.086 -179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.652 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 40.4 t80 -148.42 129.16 14.19 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.088 -0.708 . . . . 0.39 109.088 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 49.5 mt-10 66.32 36.53 5.28 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.209 0.528 . . . . 1.33 111.01 -178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt 65.88 -2.5 0.9 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.903 -1.044 . . . . 2.23 113.094 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -101.35 148.46 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 108.84 -0.8 . . . . 0.26 108.84 173.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.653 ' HA ' HG13 ' A' ' 8' ' ' ILE . 6.9 m -100.52 153.78 19.09 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.793 -0.64 . . . . 1.29 111.71 -173.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.01 -148.78 6.67 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.909 -0.587 . . . . 0.17 112.376 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.656 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -121.7 146.2 27.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.849 -0.426 . . . . 0.18 109.849 175.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.25 133.38 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 N-CA-C 107.267 -1.383 . . . . 0.17 107.267 171.073 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.32 106.54 5.24 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.325 0.491 . . . . 0.15 112.325 -168.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' ILE . 2.9 mp -86.57 122.74 39.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.799 -0.445 . . . . 0.23 109.799 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -112.54 120.79 42.82 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.833 -0.622 . . . . 1.36 111.288 -175.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.68 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 29.4 mt-10 -117.29 72.6 0.84 Allowed 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 107.758 -1.201 . . . . 1.47 107.758 167.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -112.09 -24.27 9.99 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 122.956 1.36 . . . . 3.67 108.367 165.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.9 m -108.71 -168.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 112.039 -2.346 . . . . 0.9 111.953 -161.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.529 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 12.2 p -73.31 169.91 16.13 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 105.9 -1.889 . . . . 1.23 105.9 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 53.0 Cg_exo -34.44 126.01 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.583 2.189 . . . . 0.56 113.621 -145.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -38.4 131.42 1.21 Allowed 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 113.641 -1.618 . . . . 0.27 112.448 -167.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -117.1 145.61 43.66 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 120.436 -0.505 . . . . 0.69 110.002 -176.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.31 129.71 48.82 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.488 -0.93 . . . . 0.59 108.488 179.31 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.489 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.4 m -121.91 108.29 13.26 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-N 116.118 -0.492 . . . . 0.22 110.786 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 82.3 t90 -87.06 126.31 34.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 107.952 -1.129 . . . . 0.22 107.952 171.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.926 ' HB3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -137.48 127.62 26.07 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 121.569 0.699 . . . . 1.93 111.528 179.375 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.51 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 96.2 p -57.94 151.58 17.98 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 113.958 -1.474 . . . . 0.27 110.687 -175.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.5 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.8 p -57.18 -27.07 61.61 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.563 -0.744 . . . . 0.97 112.391 -173.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.19 -29.15 64.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.971 0.415 . . . . 2.57 110.83 177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.82 5.12 58.73 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.025 -0.607 . . . . 1.07 112.23 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -82.93 -58.15 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.107 0.48 . . . . 2.64 111.561 -178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.69 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 9.4 tttt -88.29 119.57 28.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.599 . . . . 1.2 110.736 -175.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.926 HG12 ' HB3' ' A' ' 30' ' ' ARG . 24.4 m -128.41 145.41 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 N-CA-C 109.004 -0.739 . . . . 0.83 109.004 174.035 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.69 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 18.3 m-70 -140.13 125.33 18.74 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.616 -0.883 . . . . 0.33 108.616 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.47 124.38 51.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.466 0.65 . . . . 0.32 112.403 -169.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' CG1' HD11 ' A' ' 45' ' ' ILE . 29.6 t -113.09 102.54 14.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.83 -1.077 . . . . 0.23 110.396 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -72.5 118.78 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.479 -0.563 . . . . 0.63 109.479 175.396 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 25' ' ' ALA . 1.9 mm? -53.02 -28.19 23.07 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.969 1.1 . . . . 1.24 113.969 -172.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.418 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 9.6 t -65.9 -11.38 46.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.092 0.472 . . . . 1.08 111.032 -176.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 p -98.7 4.8 47.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.36 110.741 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.553 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 18.6 mm -100.26 137.25 28.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-O 121.406 0.622 . . . . 0.36 111.916 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.484 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 29.5 t70 -99.28 -46.14 5.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.157 -0.928 . . . . 0.7 110.767 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB3' HG13 ' A' ' 63' ' ' ILE . 48.2 tptt -137.28 171.18 14.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.155 0.502 . . . . 1.56 110.677 -176.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 0.7 OUTLIER -142.54 130.68 22.0 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.009 -0.737 . . . . 1.37 109.009 175.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 15.6 mm-40 -125.79 144.52 50.6 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.983 -0.553 . . . . 2.28 110.751 -175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.601 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -138.9 142.22 38.52 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.43 110.446 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.591 HG21 ' CH2' ' B' ' 30' ' ' TRP . 6.9 p -71.17 154.71 93.8 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.991 0.424 . . . . 0.55 111.779 -178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HG3' ' HG2' ' B' ' 34' ' ' GLU . 52.5 Cg_endo -65.27 148.27 88.46 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 123.409 2.74 . . . . 1.1 112.395 -179.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.21 -22.73 66.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.644 -0.707 . . . . 1.58 110.545 177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.7 p -69.28 -20.93 63.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.691 -0.686 . . . . 1.55 110.896 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.3 t -93.66 142.35 27.46 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.478 -0.934 . . . . 1.32 108.478 175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 4.5 tt0 -68.36 -46.93 68.77 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 120.797 -0.361 . . . . 2.37 111.142 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -72.52 101.46 2.98 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 121.707 0.765 . . . . 2.29 110.77 -170.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.719 ' HB2' ' SD ' ' A' ' 97' ' ' MET . 1.8 ptp -84.91 119.33 25.23 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 114.597 -1.183 . . . . 1.13 110.55 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.479 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 6.8 tpp -133.59 148.44 51.59 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.022 -0.99 . . . . 0.63 110.927 -167.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.617 HD11 ' CG ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -123.09 146.14 47.96 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.022 0.439 . . . . 0.48 110.241 170.347 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 93.7 mtt180 -119.55 143.73 47.45 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.702 -0.681 . . . . 2.37 111.09 172.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -109.55 103.06 11.87 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.69 -1.141 . . . . 0.7 107.998 174.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG13 ' HB3' ' A' ' 47' ' ' LYS . 6.3 mm -87.99 100.27 10.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 N-CA-C 109.447 -0.575 . . . . 0.41 109.447 -174.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.642 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -78.2 143.26 27.15 Favored Glycine 0 C--N 1.321 -0.265 0 C-N-CA 120.56 -0.828 . . . . 0.37 113.326 -173.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.484 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 15.8 mtpt -67.67 132.16 46.97 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 121.199 0.523 . . . . 1.16 109.856 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.572 ' CG1' ' HA ' ' A' ' 84' ' ' PRO . 1.8 p -118.4 105.36 17.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 115.559 -0.746 . . . . 1.48 111.258 -179.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.588 ' HA ' ' HB2' ' A' ' 70' ' ' LYS . 9.4 p-10 -110.92 74.45 0.87 Allowed 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 119.969 -0.693 . . . . 4.14 111.736 174.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -89.84 -53.25 4.58 Favored 'General case' 0 N--CA 1.44 -0.948 0 O-C-N 121.615 -0.678 . . . . 4.61 111.093 174.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.6 p -98.85 1.96 46.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.361 -0.836 . . . . 4.68 111.197 176.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 67' ' ' ASP . 10.2 mptt -82.62 12.25 4.87 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 121.705 0.764 . . . . 6.99 111.947 -163.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.1 tttt -51.32 164.84 0.17 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.018 -1.446 . . . . 8.2 108.82 159.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.86 169.5 0.09 Allowed 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.595 0.591 . . . . 10.67 112.595 -167.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -64.0 148.49 49.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.576 0.703 . . . . 8.97 111.59 -165.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' HB3' ' CG ' ' A' ' 78' ' ' ASN . 36.5 t0 -77.76 -176.28 4.32 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.558 -1.201 . . . . 8.74 110.151 -176.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -56.31 -32.36 64.56 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 113.039 0.755 . . . . 11.37 113.039 -172.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -94.52 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 11.2 111.2 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 66.47 45.9 81.7 Favored Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 111.263 -0.735 . . . . 8.81 111.263 -177.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.436 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 2.5 m-20 -55.4 -59.2 5.14 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.387 0.514 . . . . 8.6 112.387 -174.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.93 75.58 0.27 Allowed 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 107.767 -1.197 . . . . 8.38 107.767 -167.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 m -74.8 127.33 36.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.307 -0.86 . . . . 5.39 111.495 -162.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 65.8 t -67.84 124.08 88.58 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.035 -0.984 . . . . 4.27 110.711 -176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.44 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 73.4 Cg_endo -81.11 134.52 9.3 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.851 2.368 . . . . 2.92 114.044 -175.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 88.0 mttt -104.36 102.34 32.67 Favored Pre-proline 0 N--CA 1.444 -0.742 0 CA-C-O 122.024 0.916 . . . . 4.42 109.574 167.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.642 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 40.7 Cg_exo -63.87 150.98 87.2 Favored 'Trans proline' 0 C--N 1.318 -1.028 1 C-N-CA 125.443 4.096 . . . . 0.94 115.88 -173.674 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -91.67 125.15 36.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 107.363 -1.347 . . . . 2.01 107.363 165.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -120.02 161.65 20.57 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 113.072 0.767 . . . . 2.24 113.072 -169.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.644 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 26.8 m-70 -111.12 155.85 22.23 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.236 -1.024 . . . . 0.6 108.236 176.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.4 ttm -139.45 127.23 22.0 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.721 -0.392 . . . . 0.73 110.784 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -125.88 145.99 50.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.94 110.561 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.572 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 44.8 m -111.02 129.09 56.01 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-N 115.88 -0.6 . . . . 1.3 111.702 -174.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.804 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 77.1 m-85 -113.89 177.46 4.63 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.284 0.564 . . . . 0.32 110.386 173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -134.62 22.61 3.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.236 -0.893 . . . . 1.17 110.348 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.402 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 26.5 t-20 -145.64 127.92 15.8 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.939 -0.573 . . . . 1.62 110.064 178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.5 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 30.7 mmt180 -62.67 -46.15 89.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.288 -0.869 . . . . 3.68 111.186 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.402 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 29.2 m -57.05 -49.64 75.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.5 110.59 178.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.0 t -50.06 -58.86 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.27 111.661 177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.719 ' SD ' ' HB2' ' A' ' 58' ' ' MET . 4.1 ptm -59.5 -42.44 92.17 Favored 'General case' 0 C--O 1.223 -0.341 0 CA-C-O 121.48 0.657 . . . . 0.84 111.668 -174.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.661 ' N ' ' HG3' ' A' ' 97' ' ' MET . 34.8 t70 -65.89 -42.7 89.94 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.208 -0.905 . . . . 0.67 111.777 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.78 -48.56 58.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.724 -0.473 . . . . 1.55 109.724 -179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 mm -56.91 -37.42 54.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.22 110.164 173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.617 ' CG ' HD11 ' A' ' 60' ' ' LEU . 4.0 mtmm -52.46 -65.08 0.62 Allowed 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 121.394 0.616 . . . . 0.92 110.155 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.482 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 38.2 ttp -56.38 -45.68 80.42 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 114.307 -1.315 . . . . 1.41 111.9 -176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 107' ' ' ILE . 52.3 m -52.98 -52.38 58.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.219 178.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . 53.8 mt -70.3 -51.92 26.7 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.467 0.651 . . . . 1.03 111.221 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -51.49 -46.61 63.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.272 -1.331 . . . . 1.72 111.742 -176.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.482 ' NE2' ' HG2' ' A' ' 102' ' ' MET . 49.0 mt-30 -62.13 -50.58 71.3 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 120.313 0.101 . . . . 2.21 111.075 178.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.614 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.1 mt -57.62 -42.48 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.102 -0.333 . . . . 0.39 110.102 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 67.6 mt -54.11 -55.94 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.949 -0.568 . . . . 0.4 110.835 172.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.47 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 41.1 m -60.7 -30.15 69.77 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.312 -0.858 . . . . 1.32 111.43 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.513 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 92.2 mtt180 -69.81 -24.98 63.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 2.87 111.123 177.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 107' ' ' ILE . 24.7 m-85 -92.33 -16.64 25.78 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.155 0.503 . . . . 2.75 110.129 175.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 32.7 mttm -74.83 -53.73 8.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 1.63 110.459 175.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -80.95 -29.85 35.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.561 0.696 . . . . 1.6 109.698 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.75 20.41 6.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 114.108 -1.405 . . . . 1.33 111.596 175.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.77 -0.634 . . . . 2.23 109.796 176.205 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.802 0.334 . . . . 3.79 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.5 p -84.14 -51.3 7.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.825 0.345 . . . . 2.78 111.364 -178.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -64.04 -27.72 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.298 0.571 . . . . 3.58 109.971 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.54 -31.66 71.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.335 -0.848 . . . . 2.67 110.764 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.64 -29.62 70.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 2.16 110.063 178.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.618 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 59.2 m-85 -69.96 -12.19 61.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.515 -0.766 . . . . 1.84 111.532 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 tp -84.76 -49.95 8.02 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 120.889 0.376 . . . . 2.39 110.306 175.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -66.82 -42.9 85.09 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.258 0.466 . . . . 2.91 112.258 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.618 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 3.2 p-90 -66.0 -17.94 65.02 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.23 0.538 . . . . 1.06 110.62 -177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.479 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 1.0 OUTLIER -86.71 -46.87 9.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.784 -0.644 . . . . 1.02 110.254 -178.579 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -22.08 47.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 3.37 111.535 -176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 53.2 m -62.4 -37.8 87.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.021 0.439 . . . . 1.9 110.059 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 52' ' ' PRO . 18.1 tp10 -66.84 -41.8 86.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.97 -0.559 . . . . 2.32 109.845 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' B' ' 39' ' ' MET . 41.8 tt0 -61.19 -42.66 98.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 3.14 110.229 176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.57 -48.17 77.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 2.58 110.693 177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -65.32 -31.6 72.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.78 -0.645 . . . . 3.65 111.099 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -74.6 -30.53 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.515 . . . . 3.22 110.727 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' B' ' 35' ' ' GLU . 25.9 mmt -79.34 -21.88 45.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.905 -0.589 . . . . 4.43 111.05 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.571 -1.127 . . . . 6.18 112.258 178.168 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo . . . . . 0 N--CA 1.481 0.751 0 N-CA-C 110.994 -0.425 . . . . 3.6 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.7 p 56.31 175.15 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.821 0.848 . . . . 1.99 112.348 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.5 m80 68.09 -15.99 0.2 Allowed 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.76 1.022 . . . . 0.61 113.76 173.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.602 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.8 p -148.11 163.46 36.87 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.568 0.699 . . . . 0.28 112.524 -174.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 170.04 150.91 7.11 Favored Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 114.312 -1.313 . . . . 0.15 110.337 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.64 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.1 119.15 11.55 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.311 0.577 . . . . 0.19 111.673 -173.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.51 172.88 10.31 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.176 -0.92 . . . . 0.16 110.107 -177.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -130.33 138.51 53.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 N-CA-C 110.293 -0.262 . . . . 0.36 110.293 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.647 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 46.2 t80 -150.55 132.96 15.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.032 -0.729 . . . . 0.39 109.032 -178.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.647 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 52.3 mt-10 64.86 36.07 8.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.278 0.561 . . . . 1.33 111.058 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 62.82 8.3 3.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.835 -1.075 . . . . 2.23 113.158 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.509 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.7 p -111.87 148.44 15.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.505 -0.924 . . . . 0.26 108.505 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.637 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.7 m -95.21 157.08 16.05 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.311 0.577 . . . . 1.29 111.595 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.528 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -172.63 -150.88 7.59 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.521 -0.763 . . . . 0.17 111.788 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.64 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -122.4 145.73 28.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.651 -0.5 . . . . 0.18 109.651 173.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.51 128.38 52.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.774 0 N-CA-C 107.075 -1.454 . . . . 0.17 107.075 170.006 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.38 110.03 6.68 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.951 0.405 . . . . 0.15 111.511 -171.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -91.97 126.43 44.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.225 0.536 . . . . 0.23 110.522 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -113.33 127.15 56.05 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.29 -0.868 . . . . 1.36 110.842 -174.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -122.08 72.16 1.03 Allowed 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 107.509 -1.293 . . . . 1.47 107.509 166.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -112.73 -22.13 10.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 123.044 1.402 . . . . 3.67 108.338 167.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 23' ' ' SER . 16.1 m -108.0 -169.37 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 112.05 -2.341 . . . . 0.9 111.572 -161.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.7 m -72.55 170.19 14.11 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 105.348 -2.093 . . . . 1.23 105.348 171.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' HB2' HG23 ' A' ' 41' ' ' VAL . 72.3 Cg_exo -34.02 127.08 0.17 Allowed 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 122.632 2.221 . . . . 0.56 113.736 -147.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.545 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -38.12 138.05 0.47 Allowed 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 113.474 -1.694 . . . . 0.27 112.575 -167.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 2.8 mt-10 -122.71 148.48 45.26 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 121.251 0.548 . . . . 0.69 110.35 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 HD11 ' A' ' 18' ' ' ILE . 0.9 OUTLIER -103.12 126.77 50.45 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.275 -0.875 . . . . 0.59 108.759 177.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.3 m -115.96 108.09 15.81 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.794 -0.362 . . . . 0.22 111.178 -172.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.509 ' CH2' HG13 ' A' ' 12' ' ' VAL . 84.4 t90 -88.0 120.93 29.83 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 108.463 -0.94 . . . . 0.22 108.463 170.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.814 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.4 ptt180 -132.83 124.03 27.22 Favored 'General case' 0 N--CA 1.427 -1.586 0 C-N-CA 119.2 -1.0 . . . . 1.93 111.614 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.2 p -57.45 147.89 25.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 113.233 -1.803 . . . . 0.27 109.995 -174.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.528 HG23 ' HA2' ' A' ' 14' ' ' GLY . 21.8 p -55.53 -25.14 35.86 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.886 0.742 . . . . 0.97 112.349 -172.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -77.61 -25.24 49.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 2.57 111.093 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.78 4.81 61.64 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.872 -0.68 . . . . 1.07 112.303 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.33 -56.84 3.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.813 0.339 . . . . 2.64 111.378 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.526 ' HE3' ' OE1' ' A' ' 10' ' ' GLU . 11.1 mttp -86.98 136.52 32.89 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.433 -0.349 . . . . 1.2 111.404 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.814 HG22 ' HB3' ' A' ' 30' ' ' ARG . 7.9 t -146.3 117.28 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.497 -0.927 . . . . 0.83 108.497 177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -122.17 118.93 29.83 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.356 -0.609 . . . . 0.33 109.356 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -109.23 128.5 55.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.644 0.735 . . . . 0.32 111.889 -171.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 31.9 t -116.7 101.56 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.861 -1.063 . . . . 0.23 110.683 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -72.28 114.39 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.312 -0.625 . . . . 0.63 109.312 175.503 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 42' ' ' LEU . 1.2 mm? -52.33 -23.28 5.58 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.88 1.437 . . . . 1.24 114.88 -172.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.0 m -69.18 -11.78 61.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 118.308 0.504 . . . . 1.08 112.016 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.9 p -94.05 -2.22 53.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.505 0.669 . . . . 0.36 109.763 176.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.58 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 23.1 mm -100.18 146.16 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.906 0 CA-C-N 115.059 -0.973 . . . . 0.36 111.4 -176.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -100.57 -45.97 5.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.21 -0.905 . . . . 0.7 110.397 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.603 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.8 tmtp? -144.98 174.49 10.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.02 -0.536 . . . . 1.56 110.392 -179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -144.64 155.23 43.5 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.819 -0.628 . . . . 1.37 109.69 167.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -148.07 168.45 22.35 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.576 -0.738 . . . . 2.28 110.071 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.614 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -144.8 166.97 23.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.164 -0.471 . . . . 0.43 110.06 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.561 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p -68.7 146.74 97.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.599 0.237 . . . . 0.55 110.721 174.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -56.76 133.15 56.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.665 2.243 . . . . 1.1 111.626 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.95 -17.54 57.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.893 -0.594 . . . . 1.58 111.852 -176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 p -70.19 -17.53 63.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 1.55 110.729 178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.6 t -105.4 142.04 35.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.781 -0.645 . . . . 1.32 109.473 178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 58' ' ' MET . 45.2 tp10 -67.68 -27.99 67.31 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.016 -0.538 . . . . 2.37 110.444 174.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -60.76 139.94 57.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.709 -0.678 . . . . 2.29 110.372 -174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.505 ' HG2' ' HG3' ' A' ' 97' ' ' MET . 35.1 mtm -124.64 112.97 17.41 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.678 -0.692 . . . . 1.13 111.166 -170.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HB3' HG23 ' A' ' 51' ' ' THR . 13.8 tpp -148.79 136.17 20.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.337 -0.847 . . . . 0.63 110.266 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.68 148.85 32.53 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.405 -0.591 . . . . 0.48 109.405 173.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -117.2 147.34 42.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.196 0.522 . . . . 2.37 110.697 174.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 2.3 mm? -113.69 104.02 11.81 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.757 -1.201 . . . . 0.7 107.757 174.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.603 HG13 ' HB3' ' A' ' 47' ' ' LYS . 5.7 mm -87.92 97.26 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.099 0 N-CA-C 108.386 -0.968 . . . . 0.41 108.386 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.58 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -75.76 163.8 53.66 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.813 -0.708 . . . . 0.37 111.737 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -61.78 163.69 7.12 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 121.851 0.834 . . . . 1.16 110.825 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' ' 83' ' ' LYS . 25.6 m -100.91 140.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 114.657 -1.156 . . . . 1.48 112.853 -161.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -78.7 77.13 5.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.99 -1.005 . . . . 4.14 110.686 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -1.51 57.49 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.157 -0.929 . . . . 4.61 111.487 177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 p -76.45 -40.02 51.72 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 114.298 1.222 . . . . 4.68 114.298 -167.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -110.81 -41.18 4.33 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.88 1.067 . . . . 6.99 113.88 -172.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -98.03 116.36 30.09 Favored 'General case' 0 CA--C 1.508 -0.647 0 O-C-N 122.158 -0.338 . . . . 8.2 110.306 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.749 ' HB3' ' O ' ' A' ' 79' ' ' GLU . 45.4 mtp180 -138.82 99.86 3.9 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 114.792 1.404 . . . . 10.67 114.792 -176.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.848 ' H ' HG23 ' A' ' 81' ' ' VAL . 67.1 mmtt -155.9 122.95 5.35 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.217 1.407 . . . . 8.97 109.107 164.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.551 ' HB3' ' H ' ' A' ' 78' ' ' ASN . 37.5 t70 -88.02 -178.11 5.91 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.724 -0.473 . . . . 8.74 109.724 -178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -62.14 -29.71 70.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.443 0.565 . . . . 11.37 109.887 175.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -91.45 2.56 56.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.539 0.685 . . . . 11.2 109.994 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 61.53 37.54 94.32 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.132 -0.94 . . . . 8.81 112.102 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.551 ' H ' ' HB3' ' A' ' 74' ' ' ASP . 7.8 t-20 -63.25 -2.09 1.29 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.887 0.375 . . . . 8.6 111.301 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 46.9 mt-10 68.3 46.05 1.14 Allowed 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 123.5 0.72 . . . . 8.38 110.442 -175.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.529 HG13 ' HB2' ' A' ' 74' ' ' ASP . 0.5 OUTLIER -137.89 134.17 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.645 -1.161 . . . . 5.39 110.033 172.501 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.848 HG23 ' H ' ' A' ' 73' ' ' LYS . 30.0 t -130.63 105.04 15.72 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 109.257 -0.646 . . . . 4.27 109.257 167.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -86.8 112.65 1.0 Allowed 'Trans proline' 0 N--CA 1.423 -2.643 0 CA-C-O 121.856 0.69 . . . . 2.92 111.002 176.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' A' ' 66' ' ' VAL . 77.1 mttt -111.79 107.2 56.48 Favored Pre-proline 0 C--N 1.307 -1.273 0 CA-C-N 114.45 -1.25 . . . . 4.42 111.19 174.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' N ' HG12 ' A' ' 66' ' ' VAL . 11.4 Cg_exo -71.69 139.64 34.25 Favored 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 123.479 2.786 . . . . 0.94 111.193 -179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -91.49 111.1 22.46 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.174 -0.61 . . . . 2.01 109.648 174.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.591 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 14.7 mtm180 -104.31 139.51 39.19 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 113.415 0.894 . . . . 2.24 113.415 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.55 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 46.3 m-70 -116.41 145.85 42.95 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 114.106 -1.407 . . . . 0.6 107.343 171.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -131.34 129.31 41.24 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.248 -0.581 . . . . 0.73 110.919 -176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 40.5 m-85 -128.03 138.04 52.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.117 -0.492 . . . . 0.94 110.562 -176.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.528 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.1 t -105.86 135.45 47.27 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.357 -0.238 . . . . 1.3 110.357 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 49.8 m-85 -112.92 177.26 4.69 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.417 -0.586 . . . . 0.32 109.417 174.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -133.49 33.72 3.53 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.644 -0.707 . . . . 1.17 110.027 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -156.82 134.11 10.56 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.533 -0.758 . . . . 1.62 110.195 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.497 ' HD3' ' SD ' ' A' ' 58' ' ' MET . 0.1 OUTLIER -70.84 -40.2 72.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.666 -0.697 . . . . 3.68 111.54 -173.61 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.1 m -65.04 -46.24 82.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.336 -0.393 . . . . 0.5 110.523 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 100' ' ' ILE . 45.3 t -48.42 -55.11 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.983 -0.553 . . . . 0.27 110.493 172.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.505 ' HG3' ' HG2' ' A' ' 58' ' ' MET . 47.2 mmm -43.9 -57.19 3.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 123.546 0.529 . . . . 0.84 112.171 176.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 35.2 t70 -67.51 -40.98 85.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.046 -0.524 . . . . 0.67 111.764 -174.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -69.57 -45.81 67.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.261 -0.427 . . . . 1.55 110.288 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.793 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.7 mm -61.17 -44.77 98.99 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.35 0 N-CA-C 109.286 -0.635 . . . . 0.22 109.286 173.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.614 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 40.8 mtmt -48.68 -59.24 3.7 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.92 110.439 173.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 49.8 mtm -58.48 -48.82 79.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.358 -0.837 . . . . 1.41 112.079 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.502 HG21 ' HA ' ' A' ' 3' ' ' HIS . 94.2 m -55.12 -52.51 63.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.99 0.424 . . . . 0.27 111.193 -179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 100' ' ' ILE . 1.7 mp -67.43 -49.84 61.95 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.032 -0.729 . . . . 1.03 109.032 -176.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.535 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -52.47 -49.69 64.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.177 -0.92 . . . . 1.72 112.362 -178.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.456 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 76.0 mt-30 -61.46 -49.5 76.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.631 0.253 . . . . 2.21 111.094 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 25' ' ' ALA . 82.9 mt -62.78 -45.78 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.132 -0.485 . . . . 0.39 111.17 -179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 72.4 mt -60.19 -45.26 96.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.4 110.31 176.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.1 t -58.43 -33.92 70.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.222 -0.445 . . . . 1.32 110.883 176.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.522 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 95.6 mtt180 -64.96 -36.89 85.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.805 0.336 . . . . 2.87 111.163 178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -89.72 -15.91 31.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.776 0.798 . . . . 2.75 109.474 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' A' ' 108' ' ' ILE . 25.1 tttm -72.28 -52.25 17.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.513 -1.221 . . . . 1.63 109.699 177.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -71.79 -34.67 69.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.493 -0.776 . . . . 1.6 109.642 174.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.94 19.86 5.56 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.162 -1.381 . . . . 1.33 112.41 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.13 -0.938 . . . . 2.23 110.113 177.058 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 111.753 0.279 . . . . 3.79 111.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.418 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 7.3 t -77.38 -25.81 51.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.146 -0.346 . . . . 2.78 111.49 -174.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 3.9 pt20 -62.31 -25.72 68.03 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.877 -0.786 . . . . 3.58 108.877 172.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -79.39 -34.99 41.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.381 -0.827 . . . . 2.67 109.36 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -63.4 -31.75 72.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.551 -0.749 . . . . 2.16 110.028 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.809 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 12.9 m-85 -72.33 -14.76 61.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.62 -0.718 . . . . 1.84 111.47 177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 79.4 mt -84.15 -27.7 27.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.533 -0.303 . . . . 2.39 110.437 178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -86.82 -40.45 14.93 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.27 0.47 . . . . 2.91 112.27 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.809 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 28.7 p-90 -65.2 -28.04 69.11 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 119.959 -0.696 . . . . 1.06 109.729 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -60.95 -46.2 91.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.426 -0.806 . . . . 1.02 109.964 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.3 mmt180 -74.0 -27.1 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.871 -0.604 . . . . 3.37 110.502 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -66.09 -48.02 72.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.963 -0.562 . . . . 1.9 110.422 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.91 -25.58 56.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.56 -0.291 . . . . 2.32 110.763 178.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.64 -31.57 69.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.004 0.43 . . . . 3.14 110.427 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.9 -23.54 67.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 2.58 111.339 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -48.85 77.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.501 . . . . 3.65 109.684 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.46 -29.02 56.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.152 0.501 . . . . 3.22 110.969 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 15.1 tpt -74.76 -43.03 57.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 4.43 111.28 -177.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.947 -0.918 . . . . 6.18 112.246 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo . . . . . 0 N--CA 1.478 0.604 0 N-CA-C 110.262 -0.707 . . . . 3.6 110.262 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 p -82.58 -59.37 2.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.249 0.547 . . . . 1.99 110.932 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' HA ' HG21 ' A' ' 103' ' ' THR . 77.8 m80 -89.69 8.26 32.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.565 -0.743 . . . . 0.61 111.41 -175.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 11.9 p -159.63 165.32 32.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.395 0.617 . . . . 0.28 111.836 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.5 148.7 6.2 Favored Glycine 0 N--CA 1.437 -1.277 0 CA-C-N 114.699 -1.137 . . . . 0.15 110.695 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.613 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.66 116.16 7.29 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.461 0.648 . . . . 0.19 111.445 -173.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.769 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.82 174.53 8.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.793 -1.094 . . . . 0.16 110.194 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.3 mp -130.89 138.1 54.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 110.064 -0.347 . . . . 0.36 110.064 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.654 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 43.2 t80 -148.96 128.98 13.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.931 -0.766 . . . . 0.39 108.931 -178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 51.5 mt-10 65.46 41.58 4.15 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.127 0.489 . . . . 1.33 110.994 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.6 mptt 66.73 -8.23 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.064 -0.971 . . . . 2.23 113.336 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.45 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -101.49 147.9 7.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.978 0.418 . . . . 0.26 109.879 177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.642 ' HA ' HG13 ' A' ' 8' ' ' ILE . 17.5 t -98.13 154.47 17.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.514 -0.766 . . . . 1.29 111.698 -175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -174.82 -145.85 5.49 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.748 -1.115 . . . . 0.17 111.621 -179.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.613 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.2 145.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 N-CA-C 109.807 -0.442 . . . . 0.18 109.807 176.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.584 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.21 131.35 47.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 107.093 -1.447 . . . . 0.17 107.093 169.449 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 121.71 15.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 120.572 0.225 . . . . 0.15 111.267 -171.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.723 HD11 HD11 ' A' ' 104' ' ' LEU . 2.7 mp -97.11 124.66 50.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.999 0.904 . . . . 0.23 111.92 -175.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.415 ' ND2' HG21 ' A' ' 22' ' ' VAL . 65.9 t30 -94.56 146.03 24.4 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.751 -1.568 . . . . 1.36 109.658 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 22' ' ' VAL . 36.8 mt-10 -119.8 -146.58 0.38 Allowed 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 105.966 -1.864 . . . . 1.47 105.966 -172.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -37.53 29.82 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 131.248 3.819 . . . . 3.67 118.397 -143.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.6 m -94.99 -168.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 113.762 -1.563 . . . . 0.9 106.855 171.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 22' ' ' VAL . 18.3 m -70.69 159.13 86.21 Favored Pre-proline 0 C--N 1.308 -1.206 0 N-CA-C 105.585 -2.006 . . . . 1.23 105.585 -177.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HB3' ' OG ' ' A' ' 43' ' ' SER . 69.6 Cg_exo -34.26 125.47 0.18 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.383 2.055 . . . . 0.56 113.928 -144.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.67 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -33.85 127.53 0.39 Allowed 'General case' 0 CA--C 1.51 -0.593 0 O-C-N 125.497 1.748 . . . . 0.27 111.523 -169.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 1.5 mt-10 -114.49 140.58 48.61 Favored 'General case' 0 C--N 1.308 -1.201 0 C-N-CA 120.427 -0.509 . . . . 0.69 110.054 -170.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -102.32 129.31 48.72 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.94 -0.763 . . . . 0.59 108.94 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.7 m -119.79 107.74 13.55 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 116.027 -0.533 . . . . 0.22 111.058 -172.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.9 t90 -89.45 124.96 34.96 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.177 -1.046 . . . . 0.22 108.177 169.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 37' ' ' VAL . 2.2 ptt180 -133.93 135.19 43.41 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 121.204 0.526 . . . . 1.93 110.484 178.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.508 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.5 p -65.16 161.65 18.7 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 114.835 -1.075 . . . . 0.27 110.714 -172.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.3 p -60.9 -18.66 57.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.615 -175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -87.12 -29.31 21.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.153 0.501 . . . . 2.57 110.68 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.27 -8.04 60.42 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.886 -0.673 . . . . 1.07 112.562 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.85 -56.39 9.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.089 0.471 . . . . 2.64 110.655 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 6.2 mttt -79.64 120.28 23.75 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.761 -0.654 . . . . 1.2 110.557 -179.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.852 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.3 t -137.51 118.66 17.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.666 -0.864 . . . . 0.83 108.666 178.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.472 ' O ' ' HA ' ' A' ' 28' ' ' THR . 17.0 m-70 -121.84 123.39 41.66 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.383 -0.599 . . . . 0.33 109.383 -178.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.8 117.58 32.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.674 0.749 . . . . 0.32 111.933 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' GLU . 25.4 t -100.48 100.53 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 114.753 -1.112 . . . . 0.23 109.627 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.12 115.27 12.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 107.571 -1.27 . . . . 0.63 107.571 174.444 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 49.8 mt -65.49 -29.95 70.66 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 114.364 1.246 . . . . 1.24 114.364 -160.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.536 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 26.9 m -63.37 5.7 0.16 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.377 0.99 . . . . 1.08 112.924 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -102.08 -1.33 31.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.131 0.491 . . . . 0.36 110.121 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.2 mm -95.14 144.67 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.685 -0.689 . . . . 0.36 110.635 -179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.545 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.5 t70 -108.07 -41.36 4.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.727 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.569 ' HB3' HG13 ' A' ' 63' ' ' ILE . 3.9 mmtp -133.98 174.62 10.28 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.728 0.775 . . . . 1.56 111.682 -176.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HB3' ' HG3' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -146.44 134.48 21.5 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 114.813 -1.085 . . . . 1.37 108.567 176.174 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.495 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.7 mm-40 -131.73 147.94 52.54 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 116.239 -0.437 . . . . 2.28 110.24 -175.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -135.36 153.95 51.66 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.441 -0.345 . . . . 0.43 110.11 -179.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 59' ' ' MET . 1.1 p -64.28 141.93 98.23 Favored Pre-proline 0 C--O 1.236 0.389 0 CA-C-N 116.453 -0.339 . . . . 0.55 111.503 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.87 142.1 75.84 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.201 2.601 . . . . 1.1 112.165 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.05 -16.96 64.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.669 . . . . 1.58 112.004 -175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -72.74 -22.21 60.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.324 0.583 . . . . 1.55 110.445 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t -89.52 136.36 33.08 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.427 -0.806 . . . . 1.32 110.083 -176.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HG3' ' NH2' ' A' ' 94' ' ' ARG . 29.4 tt0 -70.05 -32.32 70.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.37 109.642 173.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 32.5 mtmm -65.12 145.73 55.91 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.309 -0.859 . . . . 2.29 110.272 -179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.539 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -129.93 115.56 17.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.694 -0.685 . . . . 1.13 111.026 -169.33 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HB3' HG23 ' A' ' 51' ' ' THR . 10.4 tpp -147.2 140.9 25.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.63 111.023 -172.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD23 ' HE2' ' A' ' 91' ' ' PHE . 0.9 OUTLIER -116.43 149.27 39.71 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.3 -0.409 . . . . 0.48 110.112 171.583 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 98.1 mtt180 -120.67 133.53 55.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.953 -0.567 . . . . 2.37 111.222 173.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' ' HA ' ' A' ' 86' ' ' ARG . 3.7 mm? -97.54 102.16 13.86 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.824 -1.08 . . . . 0.7 109.21 169.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.569 HG13 ' HB3' ' A' ' 47' ' ' LYS . 12.8 mm -87.02 100.7 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 118.445 0.566 . . . . 0.41 110.068 -174.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.514 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -60.18 169.8 7.49 Favored Glycine 0 N--CA 1.447 -0.619 0 O-C-N 123.565 0.54 . . . . 0.37 112.379 178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 68.4 mttt -68.74 162.36 26.39 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 114.45 1.278 . . . . 1.16 114.45 -170.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.92 HG12 ' HG3' ' A' ' 84' ' ' PRO . 3.1 m -103.79 -176.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 112.714 -2.039 . . . . 1.48 112.044 -165.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.53 ' HA ' ' HG2' ' A' ' 82' ' ' PRO . 22.7 t70 -51.39 92.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 122.393 1.092 . . . . 4.14 110.949 -175.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.58 ' H ' ' HG2' ' A' ' 82' ' ' PRO . 10.2 mm-40 -82.68 6.42 17.98 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 113.599 -1.637 . . . . 4.61 112.092 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.8 m -50.76 3.45 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 114.26 1.208 . . . . 4.68 114.26 -178.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' A' ' 68' ' ' GLU . 22.5 mttt -64.53 -33.66 76.42 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.305 -1.368 . . . . 6.99 107.305 167.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -85.02 160.67 19.98 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.122 -1.399 . . . . 8.2 110.366 174.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -60.72 168.91 2.05 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.257 0.836 . . . . 10.67 113.257 -177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 78' ' ' ASN . 8.8 mtmp? -69.79 170.6 10.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.41 -1.268 . . . . 8.97 110.604 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 6.2 t70 -67.89 -168.95 0.11 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.225 -0.443 . . . . 8.74 111.701 -172.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.405 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 37.9 m-80 -62.35 -34.7 77.17 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.246 0.462 . . . . 11.37 112.246 -170.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -99.26 21.45 11.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.474 0.654 . . . . 11.2 110.005 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.25 28.59 73.73 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.306 -0.861 . . . . 8.81 112.104 -177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 6.2 m-20 -63.98 117.89 7.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 121.296 0.57 . . . . 8.6 110.228 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.71 64.89 0.48 Allowed 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 114.389 -1.278 . . . . 8.38 109.913 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 78' ' ' ASN . 1.4 m -77.21 147.95 7.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 116.079 -0.509 . . . . 5.39 110.402 -174.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.48 102.95 49.67 Favored Pre-proline 0 N--CA 1.439 -1.005 0 N-CA-C 109.082 -0.71 . . . . 4.27 109.082 171.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.58 ' HG2' ' H ' ' A' ' 68' ' ' GLU . 32.5 Cg_endo -84.78 123.21 2.79 Favored 'Trans proline' 0 N--CA 1.438 -1.772 0 C-N-CA 122.27 1.98 . . . . 2.92 113.081 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 33.2 mtmm -103.02 150.64 38.02 Favored Pre-proline 0 C--N 1.309 -1.19 0 CA-C-N 113.799 -1.546 . . . . 4.42 108.558 176.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.92 ' HG3' HG12 ' A' ' 66' ' ' VAL . 35.4 Cg_exo -60.18 122.7 11.78 Favored 'Trans proline' 0 N--CA 1.449 -1.119 0 C-N-CA 122.473 2.116 . . . . 0.94 110.777 -175.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -93.35 110.88 22.42 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 109.064 -0.717 . . . . 2.01 109.064 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.761 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 11.7 ptt180 -107.04 144.39 33.76 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 119.63 -0.828 . . . . 2.24 111.502 -173.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.581 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 85.2 m-70 -111.96 129.71 56.09 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.381 -1.281 . . . . 0.6 108.228 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.488 ' SD ' ' HZ3' ' B' ' 31' ' ' TRP . 23.1 ttm -116.61 126.84 53.83 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.653 -0.419 . . . . 0.73 111.213 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 14.5 m-85 -128.19 136.38 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.94 110.58 -177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 6.6 t -99.03 135.88 39.8 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.481 -0.327 . . . . 1.3 110.675 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.769 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.4 m-85 -112.71 178.06 4.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 121.11 0.481 . . . . 0.32 110.188 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -130.08 26.56 5.18 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.824 . . . . 1.17 110.312 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.566 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 27.2 t-20 -158.86 131.52 6.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.022 -0.535 . . . . 1.62 109.831 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' MET . 9.7 mpt_? -72.74 -33.74 66.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.129 -0.487 . . . . 3.68 110.956 -174.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.566 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 94.2 m -61.75 -50.55 71.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.5 109.966 176.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.5 t -48.63 -52.66 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.382 -0.826 . . . . 0.27 110.89 172.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 5.1 mtp -43.49 -57.78 2.93 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 112.485 0.55 . . . . 0.84 112.485 174.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.62 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 22.3 t70 -65.92 -38.86 89.79 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.246 -0.434 . . . . 0.67 111.239 -174.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.21 -52.42 48.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 1.55 110.723 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.801 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.3 mm -60.06 -41.17 85.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.995 -0.548 . . . . 0.22 109.571 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.668 ' O ' ' HB2' ' A' ' 105' ' ' GLN . 17.9 mtmt -49.85 -64.46 0.8 Allowed 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.422 0.63 . . . . 0.92 110.608 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.5 ttm -58.73 -51.01 71.78 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 114.654 -1.157 . . . . 1.41 111.938 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 3' ' ' HIS . 68.0 m -48.58 -50.31 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.514 0.508 . . . . 0.27 111.615 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 100' ' ' ILE . 3.7 mp -73.95 -50.54 19.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.548 0.69 . . . . 1.03 109.368 -175.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.668 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -57.74 -42.7 84.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 114.414 -1.266 . . . . 1.72 112.076 -176.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -63.91 -46.0 86.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.309 0.1 . . . . 2.21 111.177 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.67 HG21 ' HB3' ' A' ' 25' ' ' ALA . 91.4 mt -57.23 -45.55 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.169 0.509 . . . . 0.39 109.87 175.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.838 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 65.0 mt -56.25 -55.15 20.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 115.492 -0.776 . . . . 0.4 110.779 175.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.454 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 19.8 m -59.45 -23.73 62.95 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.716 -0.675 . . . . 1.32 111.061 -178.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -75.66 -35.79 60.31 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 116.106 -0.497 . . . . 2.87 110.794 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.838 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 -92.09 5.3 50.78 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.29 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 36.6 mttm -89.68 -51.78 5.34 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 1.63 109.848 169.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -68.99 -38.09 79.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.491 -0.777 . . . . 1.6 110.124 178.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.47 17.85 11.04 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.438 -1.255 . . . . 1.33 112.689 171.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.383 -0.818 . . . . 2.23 109.757 177.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.482 1.145 0 CA-C-O 120.588 0.232 . . . . 3.79 111.302 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 7.8 p -65.67 -53.8 36.28 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.822 0.304 . . . . 2.78 111.822 -175.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -66.84 -31.68 72.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 3.58 109.923 177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.22 -38.57 88.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.482 -0.781 . . . . 2.67 110.663 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -59.53 -33.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 2.16 111.696 -175.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.779 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 80.6 m-85 -63.76 -34.06 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.902 0.382 . . . . 1.84 110.959 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.2 mp -75.02 -18.12 60.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.208 -0.451 . . . . 2.39 110.254 178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' B' ' 29' ' ' LYS . 11.5 mmpt? -86.42 -48.74 8.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.134 -0.484 . . . . 2.91 111.049 -179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.779 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 39.9 p-90 -74.54 -33.41 62.74 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 120.509 -0.477 . . . . 1.06 111.059 -175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.488 ' HZ3' ' SD ' ' A' ' 88' ' ' MET . 1.8 t-105 -64.15 -47.35 80.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.02 110.738 -176.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -76.47 -29.41 56.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.485 . . . . 3.37 111.472 -175.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -63.28 -43.76 97.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.929 0.395 . . . . 1.9 110.467 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -77.12 -32.6 56.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 2.32 110.657 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.27 -45.92 92.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 3.14 110.276 176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.17 -8.43 59.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.068 -0.515 . . . . 2.58 111.121 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -81.7 -45.96 14.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.162 -0.472 . . . . 3.65 110.546 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -85.46 -42.83 14.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 3.22 110.769 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 52.2 mtm 60.16 70.15 0.65 Allowed 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.409 0.443 . . . . 4.43 110.777 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.583 -1.121 . . . . 6.18 112.012 -179.562 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo . . . . . 0 N--CA 1.479 0.637 0 N-CA-C 110.725 -0.529 . . . . 3.6 110.725 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p 61.71 156.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.393 1.077 . . . . 1.99 112.588 178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.476 ' HA ' HG21 ' A' ' 103' ' ' THR . 43.1 m80 64.9 -7.06 0.29 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.316 -0.856 . . . . 0.61 113.163 175.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.612 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 12.9 p -157.24 165.97 34.46 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.306 0.574 . . . . 0.28 111.779 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.56 149.31 6.22 Favored Glycine 0 N--CA 1.439 -1.121 0 CA-C-N 114.578 -1.192 . . . . 0.15 110.501 -178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.623 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.53 118.27 9.9 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-O 121.239 0.542 . . . . 0.19 111.719 -173.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.838 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -126.79 172.12 10.64 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 115.145 -0.934 . . . . 0.16 110.448 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.3 mp -131.54 135.04 59.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 N-CA-C 109.392 -0.596 . . . . 0.36 109.392 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -140.68 119.11 12.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 0.39 110.586 -175.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 52.53 58.19 5.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.375 -0.829 . . . . 1.33 112.131 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 4.1 mptt 70.36 14.57 7.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.328 -1.305 . . . . 2.23 113.731 170.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.5 p -132.76 148.49 31.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.962 0.411 . . . . 0.26 110.274 171.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.641 ' HA ' HG13 ' A' ' 8' ' ' ILE . 14.5 t -100.84 154.57 18.54 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.709 -0.678 . . . . 1.29 112.1 -175.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -176.98 -145.23 5.62 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.039 -0.982 . . . . 0.17 112.132 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.623 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.74 147.2 30.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 123.231 0.612 . . . . 0.18 109.736 176.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.87 131.87 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.4 -1.333 . . . . 0.17 107.4 169.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.88 119.15 12.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.422 0.153 . . . . 0.15 111.264 -172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.703 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.03 128.09 46.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 122.317 1.056 . . . . 0.23 112.746 -173.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.442 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 5.6 m-20 -89.66 150.17 22.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 113.239 -1.801 . . . . 1.36 110.645 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.623 ' C ' ' H ' ' A' ' 22' ' ' VAL . 41.2 mt-10 -117.08 -133.07 0.33 Allowed 'General case' 0 N--CA 1.423 -1.814 0 C-N-CA 126.838 2.055 . . . . 1.47 108.261 -173.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -46.86 24.21 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 129.562 3.145 . . . . 3.67 116.34 -167.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.623 ' H ' ' C ' ' A' ' 20' ' ' GLU . 32.3 m -96.11 -167.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.672 0 N-CA-C 105.866 -1.902 . . . . 0.9 105.866 170.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.7 m -70.49 152.76 95.36 Favored Pre-proline 0 C--N 1.308 -1.227 0 N-CA-C 106.039 -1.837 . . . . 1.23 106.039 -176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.4 Cg_exo -34.5 126.09 0.2 Allowed 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.78 2.32 . . . . 0.56 113.762 -144.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -31.3 120.89 0.24 Allowed 'General case' 0 C--N 1.348 0.531 0 O-C-N 125.371 1.67 . . . . 0.27 111.975 -165.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -115.57 140.9 48.74 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 115.773 -0.648 . . . . 0.69 110.554 -168.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.21 126.62 47.95 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.342 -0.614 . . . . 0.59 109.342 -178.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.447 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.7 m -114.92 107.35 15.27 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 116.069 -0.514 . . . . 0.22 111.047 -172.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.556 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 71.7 t90 -89.88 122.83 33.29 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.118 . . . . 0.22 107.98 168.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.7 ptt180 -130.3 138.67 50.58 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.94 -0.573 . . . . 1.93 109.615 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.515 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 82.1 p -70.2 161.18 30.75 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.375 -0.83 . . . . 0.27 110.663 -170.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.6 p -55.07 -37.71 67.12 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.923 0.392 . . . . 0.97 111.441 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.56 -26.35 63.5 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.954 -0.566 . . . . 2.57 111.118 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.58 -0.12 67.56 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.977 -0.63 . . . . 1.07 111.695 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.83 -53.39 18.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.157 0.503 . . . . 2.64 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 11.0 mttp -85.9 131.84 34.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 1.2 110.486 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.667 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.9 t -143.74 117.57 3.51 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 108.678 -0.86 . . . . 0.83 108.678 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -123.85 127.28 47.81 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.276 -0.638 . . . . 0.33 109.276 -177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.503 HG22 ' HB2' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -115.85 122.63 45.95 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.759 0.79 . . . . 0.32 112.017 -172.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 45' ' ' ILE . 27.7 t -103.75 100.48 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 114.638 -1.164 . . . . 0.23 109.947 178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 26' ' ' GLU . 0.2 OUTLIER -69.32 116.32 9.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.1 -0.704 . . . . 0.63 109.1 175.21 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 25' ' ' ALA . 3.0 mm? -51.29 -26.66 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.804 1.039 . . . . 1.24 113.804 -172.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.5 t -61.98 -17.64 57.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.771 0.32 . . . . 1.08 111.234 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -96.09 3.29 53.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.993 0.425 . . . . 0.36 110.779 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.548 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 20.7 mm -98.57 146.8 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.933 -0.576 . . . . 0.36 111.217 -178.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -109.64 -50.47 2.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.523 -0.762 . . . . 0.7 110.489 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.65 ' HD3' ' N ' ' A' ' 48' ' ' LEU . 3.2 tmtp? -135.21 159.01 42.89 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 109.049 -0.722 . . . . 1.56 109.049 -173.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.65 ' N ' ' HD3' ' A' ' 47' ' ' LYS . 0.8 OUTLIER -127.22 138.57 53.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 121.914 -0.491 . . . . 1.37 110.229 171.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 66.8 mt-30 -127.2 148.16 50.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.856 -0.611 . . . . 2.28 110.36 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.94 148.71 45.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.995 -0.548 . . . . 0.43 109.815 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.36 135.8 95.42 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.173 0.511 . . . . 0.55 112.221 -177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' CG ' ' HB3' ' B' ' 34' ' ' GLU . 20.4 Cg_endo -61.15 153.3 65.73 Favored 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 123.502 2.801 . . . . 1.1 112.054 177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.58 -17.28 63.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.534 -0.757 . . . . 1.58 112.046 -175.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.6 p -71.63 -24.46 61.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.002 0.43 . . . . 1.55 110.595 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -96.94 133.5 41.51 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.931 -0.577 . . . . 1.32 109.973 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -76.04 -21.67 56.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.698 -0.683 . . . . 2.37 110.557 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -72.68 111.73 8.09 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 116.05 -0.523 . . . . 2.29 111.163 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 97' ' ' MET . 3.1 mpp? -71.74 118.2 14.28 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.85 -0.614 . . . . 1.13 110.701 178.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.3 tpp -152.11 139.95 19.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.63 111.867 -172.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.57 HD11 ' CG ' ' A' ' 101' ' ' LYS . 2.5 mm? -125.1 146.65 49.37 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.167 -0.469 . . . . 0.48 109.865 170.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' NH2' ' HD2' ' A' ' 86' ' ' ARG . 58.2 mtp180 -120.49 141.74 49.92 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.432 0.634 . . . . 2.37 110.895 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.0 mm? -106.93 105.28 15.23 Favored 'General case' 0 C--N 1.308 -1.201 0 N-CA-C 107.29 -1.374 . . . . 0.7 107.29 173.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.6 mm -87.54 97.76 6.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 N-CA-C 108.208 -1.034 . . . . 0.41 108.208 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -74.07 158.74 52.26 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.915 -0.584 . . . . 0.37 112.212 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -65.35 164.41 13.68 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 122.313 1.054 . . . . 1.16 112.118 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' A' ' 82' ' ' PRO . 12.4 m -114.6 161.65 13.25 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 CA-C-N 113.293 -1.776 . . . . 1.48 110.764 -174.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 69' ' ' SER . 52.9 m-20 -60.96 149.54 36.27 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.011 -0.995 . . . . 4.14 109.972 171.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -56.34 1.35 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 113.139 0.792 . . . . 4.61 113.139 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 67' ' ' ASP . 9.1 m -58.29 1.46 0.05 Allowed 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.884 0.698 . . . . 4.68 112.884 176.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -66.8 -19.24 65.7 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.261 -1.015 . . . . 6.99 108.261 170.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -56.75 165.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.192 -1.367 . . . . 8.2 111.212 170.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -54.7 168.65 0.26 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.67 111.741 -177.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -66.93 160.52 26.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 113.154 0.798 . . . . 8.97 113.154 -172.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -65.43 177.59 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.482 -1.235 . . . . 8.74 110.007 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 30.6 p30 -59.25 -30.95 68.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 118.466 0.576 . . . . 11.37 111.758 -175.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.03 1.33 48.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.291 0.567 . . . . 11.2 110.781 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.559 ' HA2' ' HD3' ' A' ' 73' ' ' LYS . . . 63.09 38.56 96.77 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 115.214 -0.903 . . . . 8.81 112.687 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -47.25 -36.32 8.87 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.274 0.472 . . . . 8.6 112.274 173.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.574 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 44.3 mt-10 53.79 62.5 2.59 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 109.139 -0.689 . . . . 8.38 109.139 -173.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -77.3 142.51 14.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.467 -0.788 . . . . 5.39 110.527 -170.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.8 p -96.7 126.44 43.11 Favored Pre-proline 0 C--N 1.315 -0.933 0 CA-C-N 115.99 -0.55 . . . . 4.27 109.533 176.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HB2' ' HB ' ' A' ' 66' ' ' VAL . 55.6 Cg_endo -76.18 124.13 7.68 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 121.736 1.624 . . . . 2.92 111.682 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -93.78 117.65 67.28 Favored Pre-proline 0 C--N 1.316 -0.873 0 CA-C-N 115.607 -0.724 . . . . 4.42 111.403 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -64.28 139.72 67.16 Favored 'Trans proline' 0 C--N 1.329 -0.458 0 C-N-CA 123.946 3.098 . . . . 0.94 111.55 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -90.71 111.99 23.57 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.473 -0.566 . . . . 2.01 109.473 178.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD2' ' NH2' ' A' ' 61' ' ' ARG . 6.8 mtm180 -105.61 141.85 36.36 Favored 'General case' 0 C--N 1.312 -1.03 0 N-CA-C 113.341 0.867 . . . . 2.24 113.341 -171.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.561 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -117.87 114.96 24.01 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.739 -1.208 . . . . 0.6 107.739 172.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 39.9 ttm -107.86 127.63 53.9 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.324 -0.551 . . . . 0.73 110.612 -178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' A' ' 29' ' ' TRP . 28.5 m-85 -119.55 136.87 54.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.94 110.381 -178.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.609 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 50.9 m -100.44 126.36 46.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.682 -0.69 . . . . 1.3 111.199 -177.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.838 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 94.9 m-85 -112.17 178.12 4.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.305 0.574 . . . . 0.32 109.99 175.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -134.58 17.3 3.62 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.228 -0.896 . . . . 1.17 110.956 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -141.63 133.44 27.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 1.62 110.188 -177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -70.96 -39.6 72.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.751 -0.659 . . . . 3.68 111.437 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.7 m -62.61 -49.01 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.555 -0.293 . . . . 0.5 110.327 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 91' ' ' PHE . 52.6 t -47.11 -55.96 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.27 110.714 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 58' ' ' MET . 9.9 mtp -45.21 -64.51 0.7 Allowed 'General case' 0 C--O 1.213 -0.833 0 O-C-N 123.41 0.444 . . . . 0.84 112.052 175.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -55.49 -40.87 72.25 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 123.515 0.509 . . . . 0.67 112.001 -175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -70.61 -53.42 16.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.522 -0.308 . . . . 1.55 110.266 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.767 ' O ' HD13 ' A' ' 104' ' ' LEU . 45.7 mm -55.45 -49.52 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.588 -0.523 . . . . 0.22 109.588 174.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' CG ' HD11 ' A' ' 60' ' ' LEU . 29.0 mtpt -41.68 -63.95 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.839 -0.619 . . . . 0.92 111.234 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.0 mtm -62.92 -46.79 86.12 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.656 -1.156 . . . . 1.41 112.053 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.476 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.8 m -50.98 -48.95 61.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.139 0.495 . . . . 0.27 111.533 -179.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.2 mp -75.33 -50.24 16.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.391 -0.822 . . . . 1.03 109.469 -174.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 9.9 tm0? -53.6 -46.93 70.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.711 -1.131 . . . . 1.72 111.67 -178.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 23.5 mm-40 -61.52 -46.27 90.67 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.679 -0.237 . . . . 2.21 111.469 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 25' ' ' ALA . 72.2 mt -62.01 -41.31 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 110.066 -0.346 . . . . 0.39 110.066 177.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.545 ' CD1' ' HB2' ' A' ' 48' ' ' LEU . 92.4 mt -58.08 -51.18 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.4 110.411 173.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.0 t -57.41 -32.5 66.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 1.32 110.722 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 98.7 mtt180 -67.91 -29.28 68.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.488 -0.324 . . . . 2.87 111.461 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -93.11 -17.41 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.66 0.743 . . . . 2.75 109.624 175.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.1 tttm -76.53 -50.85 12.91 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.631 -1.168 . . . . 1.63 109.627 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.14 -23.57 43.89 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.779 -1.1 . . . . 1.6 109.914 173.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 60.56 24.0 13.7 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 114.377 -1.283 . . . . 1.33 110.459 -176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.275 -0.875 . . . . 2.23 110.162 -179.285 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 111.568 0.21 . . . . 3.79 111.568 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -69.41 -52.4 27.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.934 -0.306 . . . . 2.78 111.415 -175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -63.35 -26.28 68.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.006 0.432 . . . . 3.58 110.341 177.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -70.78 -49.3 48.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.76 -0.655 . . . . 2.67 110.674 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.04 -29.69 69.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.541 0.686 . . . . 2.16 109.857 176.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -66.95 -14.05 62.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.712 -1.131 . . . . 1.84 110.957 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 84.2 mt -104.96 -29.76 10.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.551 . . . . 2.39 109.903 171.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -61.1 -47.14 87.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.332 -0.849 . . . . 2.91 111.088 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 40.4 p-90 -58.11 -34.85 70.65 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.669 0.271 . . . . 1.06 110.695 -177.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -66.2 -46.01 78.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.343 0.592 . . . . 1.02 109.868 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 14.7 mmm180 -62.68 -37.9 88.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.21 -0.905 . . . . 3.37 110.609 -179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 15.4 m -72.86 -36.25 67.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.746 -0.661 . . . . 1.9 111.247 -178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' HB3' ' CG ' ' A' ' 52' ' ' PRO . 67.3 mm-40 -64.06 -38.35 90.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 2.32 110.423 175.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -65.22 -35.24 80.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.204 0.526 . . . . 3.14 109.988 175.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.79 87.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 2.58 110.43 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -66.77 -30.59 70.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.097 -0.501 . . . . 3.65 110.831 177.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.1 -40.62 98.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 3.22 110.113 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 63.8 mtm -82.27 -54.37 5.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.306 -0.861 . . . . 4.43 110.493 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.284 -1.287 . . . . 6.18 111.26 -178.444 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_endo . . . . . 0 N--CA 1.48 0.677 0 N-CA-C 110.265 -0.706 . . . . 3.6 110.265 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' HIS . 41.6 m 64.7 114.36 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.84 0.712 . . . . 1.99 110.659 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' HB2' ' O ' ' A' ' 2' ' ' SER . 50.3 m80 70.87 -8.77 0.91 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 115.976 -0.556 . . . . 0.61 111.437 -173.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 31.3 p -148.09 166.24 28.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.414 0.626 . . . . 0.28 112.057 -176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.46 153.41 8.22 Favored Glycine 0 N--CA 1.437 -1.242 0 CA-C-N 114.56 -1.2 . . . . 0.15 110.514 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.635 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.24 114.89 6.33 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.372 0.606 . . . . 0.19 111.963 -172.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.833 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -123.22 175.57 6.59 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.16 110.165 -177.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.9 mp -131.28 137.2 56.11 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 N-CA-C 110.377 -0.231 . . . . 0.36 110.377 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.499 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 48.1 t80 -150.32 133.55 16.29 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.842 -0.799 . . . . 0.39 108.842 -178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.499 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 39.6 mt-10 65.03 33.83 9.33 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.168 0.508 . . . . 1.33 111.029 -175.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.89 -5.74 0.63 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.837 -1.074 . . . . 2.23 112.816 179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.497 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.9 p -96.82 148.28 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 108.908 -0.775 . . . . 0.26 108.908 173.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.665 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.5 m -96.26 153.59 17.72 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.876 -0.602 . . . . 1.29 111.498 -176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -171.07 -146.9 5.41 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.709 -0.678 . . . . 0.17 111.898 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.635 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -125.24 144.99 33.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.566 -0.531 . . . . 0.18 109.566 175.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -100.33 133.34 43.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 107.16 -1.422 . . . . 0.17 107.16 171.067 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.91 107.93 5.73 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.846 0.355 . . . . 0.15 111.879 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.621 HD11 HD11 ' A' ' 104' ' ' LEU . 3.4 mp -90.1 126.0 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.106 0.479 . . . . 0.23 110.245 179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -112.44 127.68 56.1 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.611 -0.722 . . . . 1.36 111.39 -173.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 33.0 mt-10 -121.42 72.68 1.01 Allowed 'General case' 0 N--CA 1.433 -1.323 0 N-CA-C 108.038 -1.097 . . . . 1.47 108.038 167.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -112.54 -25.1 9.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 123.068 1.413 . . . . 3.67 108.502 165.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.2 m -108.27 -169.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 112.049 -2.341 . . . . 0.9 112.374 -161.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -73.51 169.35 18.7 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 105.79 -1.93 . . . . 1.23 105.79 172.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 23' ' ' SER . 52.0 Cg_exo -34.4 125.93 0.19 Allowed 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.354 2.036 . . . . 0.56 113.806 -144.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.547 ' HB2' ' HG2' ' A' ' 20' ' ' GLU . . . -37.63 128.95 1.12 Allowed 'General case' 0 CA--C 1.507 -0.675 0 CA-C-N 113.805 -1.543 . . . . 0.27 112.375 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -116.06 148.96 39.67 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.23 0.538 . . . . 0.69 110.147 -176.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -103.37 130.6 50.71 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.276 -0.875 . . . . 0.59 109.109 -178.623 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 4.0 m -122.35 107.07 11.66 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.262 -0.426 . . . . 0.22 110.855 -174.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 80.5 t90 -89.64 130.46 35.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.434 -0.95 . . . . 0.22 108.434 171.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.827 ' HB3' HG22 ' A' ' 37' ' ' VAL . 7.0 ptt180 -140.6 136.21 32.55 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-O 121.045 0.45 . . . . 1.93 110.475 178.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.539 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 90.1 p -67.14 156.53 35.95 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.304 -0.862 . . . . 0.27 110.799 -171.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.481 HG23 ' HA2' ' A' ' 14' ' ' GLY . 39.3 p -61.28 -23.95 66.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.142 0.496 . . . . 0.97 110.54 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -28.81 69.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.45 -0.796 . . . . 2.57 110.271 176.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.57 12.62 60.79 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.542 -0.754 . . . . 1.07 111.955 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -106.63 -58.91 1.87 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.842 0.354 . . . . 2.64 111.376 -176.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.659 ' HG2' ' CE1' ' A' ' 38' ' ' HIS . 12.4 tttp -72.46 119.72 17.07 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.134 -0.485 . . . . 1.2 109.932 -177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.827 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.1 t -135.14 128.54 49.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.051 -0.722 . . . . 0.83 109.051 -178.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.659 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 10.2 m-70 -128.42 134.12 48.72 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.241 -0.651 . . . . 0.33 109.241 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.29 125.8 48.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.285 0.564 . . . . 0.32 111.572 -172.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -118.7 102.84 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.094 0.958 . . . . 0.23 110.705 -176.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 41' ' ' VAL . 0.5 OUTLIER -67.71 117.16 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.466 0.65 . . . . 0.63 109.562 175.495 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.72 -14.61 59.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.075 -0.966 . . . . 1.24 112.682 -169.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 35.0 t -65.9 -17.26 64.54 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.672 0.272 . . . . 1.08 110.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -97.64 4.59 50.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.797 0.332 . . . . 0.36 110.613 -179.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.49 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 8.0 mm -104.86 136.87 36.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.496 -0.32 . . . . 0.36 110.282 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' O ' ' HE3' ' A' ' 112' ' ' LYS . 29.7 t70 -92.34 -42.59 9.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.91 0.386 . . . . 0.7 110.844 -177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.677 ' HB3' HG13 ' A' ' 63' ' ' ILE . 20.7 tptm -145.19 173.86 11.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.338 0.589 . . . . 1.56 110.278 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.48 154.31 45.46 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.732 -0.84 . . . . 1.37 108.732 168.575 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 21.5 mm-40 -143.87 149.36 36.81 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.577 -0.738 . . . . 2.28 110.079 -170.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -125.88 163.49 22.83 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.894 -0.323 . . . . 0.43 110.467 -179.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' MET . 0.6 OUTLIER -66.16 143.75 98.48 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 112.027 0.38 . . . . 0.55 112.027 -178.456 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.94 143.18 83.27 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.255 2.637 . . . . 1.1 111.827 177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.31 -21.76 64.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 1.58 112.537 -173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 p -82.16 -1.63 49.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.153 0.501 . . . . 1.55 111.227 -179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -105.46 138.45 41.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.133 -0.485 . . . . 1.32 109.743 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.674 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 29.5 tt0 -77.75 -34.8 52.33 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.858 -0.61 . . . . 2.37 110.18 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.63 127.24 30.45 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.509 -0.769 . . . . 2.29 110.617 -174.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 97' ' ' MET . 12.4 mtm -96.75 122.41 39.67 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.355 -0.839 . . . . 1.13 110.845 -176.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.574 ' HB3' HG23 ' A' ' 51' ' ' THR . 19.0 tpp -151.37 141.5 22.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.749 -0.66 . . . . 0.63 110.868 -172.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.7 mm? -119.5 142.73 48.04 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.326 -0.62 . . . . 0.48 109.326 170.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 83.6 mtm180 -114.59 146.04 41.27 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.695 -0.684 . . . . 2.37 110.195 172.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.553 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 0.6 OUTLIER -115.15 113.57 24.14 Favored 'General case' 0 N--CA 1.426 -1.649 0 CA-C-N 115.147 -0.933 . . . . 0.7 108.828 174.174 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.677 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.4 mm -86.79 97.33 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 107.72 -1.215 . . . . 0.41 107.72 -177.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -69.82 146.13 42.85 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.165 -1.017 . . . . 0.37 112.307 -174.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -65.22 156.94 30.22 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 121.181 0.515 . . . . 1.16 110.331 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG21 ' CB ' ' A' ' 82' ' ' PRO . 11.1 m -115.38 113.26 42.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 CA-C-N 115.655 -0.702 . . . . 1.48 110.364 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 9.4 p-10 -104.4 82.05 1.88 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.246 -1.02 . . . . 4.14 108.246 172.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -54.14 -50.86 65.97 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 113.769 1.026 . . . . 4.61 113.769 -159.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -100.64 -59.37 1.71 Allowed 'General case' 0 C--O 1.235 0.297 0 C-N-CA 117.903 -1.519 . . . . 4.68 110.877 166.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 1.1 mmpt? -141.18 -38.79 0.41 Allowed 'General case' 0 N--CA 1.439 -1.018 0 CA-C-O 121.69 0.757 . . . . 6.99 110.923 161.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.5 tttt -95.06 160.91 14.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 114.537 -1.21 . . . . 8.2 110.377 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.608 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 10.8 ptp85 -135.85 104.71 5.83 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.151 0.797 . . . . 10.67 113.151 -179.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.661 ' O ' ' HA ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -155.74 119.6 4.48 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 114.869 1.433 . . . . 8.97 114.869 164.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.707 ' HB3' ' C ' ' A' ' 79' ' ' GLU . 6.5 p-10 -110.2 -155.09 0.55 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.804 -1.184 . . . . 8.74 107.804 163.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -32.58 72.75 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.151 -0.315 . . . . 11.37 110.151 173.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -89.76 -39.02 13.41 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.097 0.475 . . . . 11.2 110.434 173.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.501 ' HA2' ' HA ' ' A' ' 73' ' ' LYS . . . 124.39 37.26 0.57 Allowed Glycine 0 CA--C 1.522 0.499 0 C-N-CA 120.852 -0.69 . . . . 8.81 113.911 175.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -105.72 -51.8 2.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.293 0.568 . . . . 8.6 109.516 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.707 ' C ' ' HB3' ' A' ' 74' ' ' ASP . 27.2 tt0 152.01 -52.66 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.857 -2.275 . . . . 8.38 104.857 170.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.9 m -137.67 151.77 26.3 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 112.06 -2.337 . . . . 5.39 108.103 167.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 82' ' ' PRO . 6.7 p -53.67 98.86 0.19 Allowed Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 122.259 1.028 . . . . 4.27 110.691 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.592 ' CB ' HG21 ' A' ' 66' ' ' VAL . 20.8 Cg_endo -91.82 168.64 3.11 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 124.201 3.267 . . . . 2.92 114.918 -162.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -105.79 106.8 57.83 Favored Pre-proline 0 N--CA 1.436 -1.169 0 CA-C-N 115.332 -0.849 . . . . 4.42 109.834 158.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.589 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 32.1 Cg_exo -65.15 152.16 83.17 Favored 'Trans proline' 0 C--N 1.322 -0.82 0 C-N-CA 124.564 3.509 . . . . 0.94 113.487 -177.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HG2' ' H ' ' A' ' 85' ' ' GLN . 18.5 pt20 -84.27 114.85 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.465 -0.789 . . . . 2.01 110.031 176.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 63' ' ' ILE . 14.6 mtm180 -102.72 136.0 43.35 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.63 0.728 . . . . 2.24 112.745 -173.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.553 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 89.1 m-70 -108.35 124.84 50.97 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.546 -1.206 . . . . 0.6 108.429 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 36.5 ttm -118.06 129.62 55.67 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.789 -0.365 . . . . 0.73 110.868 -174.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -130.56 137.93 49.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.428 -0.351 . . . . 0.94 110.142 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.603 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 8.1 t -100.96 134.17 44.35 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-O 120.623 0.249 . . . . 1.3 111.299 -177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.833 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 89.7 m-85 -113.1 177.39 4.65 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.631 -0.507 . . . . 0.32 109.631 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.3 p30 -139.46 34.5 2.05 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.677 -0.692 . . . . 1.17 110.503 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -154.67 131.04 10.45 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.46 -0.791 . . . . 1.62 109.867 176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.674 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 22.0 mmt180 -68.1 -36.87 80.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.494 -0.775 . . . . 3.68 111.991 -173.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 33.2 m -63.8 -48.46 76.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.754 0.311 . . . . 0.5 110.36 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 100' ' ' ILE . 54.3 t -49.4 -53.95 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.741 -0.663 . . . . 0.27 110.88 174.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.49 ' CE ' ' HB1' ' A' ' 50' ' ' ALA . 10.6 mtp -47.54 -54.05 12.75 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 112.015 0.376 . . . . 0.84 112.015 176.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 36.2 t70 -65.67 -38.53 89.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.213 -0.449 . . . . 0.67 111.418 -175.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.1 -51.48 45.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.139 -0.482 . . . . 1.55 110.742 179.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.768 ' O ' HD13 ' A' ' 104' ' ' LEU . 50.8 mm -59.73 -40.98 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.676 -0.49 . . . . 0.22 109.676 175.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 28.4 mtmt -51.3 -63.41 1.14 Allowed 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.033 0.444 . . . . 0.92 110.284 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.6 mtm -58.73 -44.88 90.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.051 -0.977 . . . . 1.41 111.98 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.433 HG21 ' HA ' ' A' ' 3' ' ' HIS . 65.9 m -54.31 -54.37 41.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.923 0.392 . . . . 0.27 110.878 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.6 mp -69.97 -49.31 53.0 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.3 -0.63 . . . . 1.03 109.3 -175.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.489 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -47.9 -56.21 8.08 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.297 -0.865 . . . . 1.72 112.553 -178.345 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.29 -46.13 78.06 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.55 0.204 . . . . 2.21 111.55 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 25' ' ' ALA . 77.3 mt -60.98 -48.31 89.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.933 0.397 . . . . 0.39 110.591 178.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 31.1 mt -55.39 -52.19 48.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-N 115.84 -0.618 . . . . 0.4 110.678 176.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 54.8 m -62.91 -19.91 64.66 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.227 -0.442 . . . . 1.32 111.663 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.6 -29.36 27.81 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-O 121.156 0.503 . . . . 2.87 109.953 -179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -90.56 -16.31 29.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.495 0.664 . . . . 2.75 109.713 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.526 ' HE3' ' O ' ' A' ' 46' ' ' ASP . 29.1 tttt -72.01 -55.95 6.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.862 -1.063 . . . . 1.63 110.027 177.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -76.59 -33.02 58.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.168 -0.924 . . . . 1.6 109.84 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.47 24.24 10.39 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.23 -1.35 . . . . 1.33 112.126 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.938 0 CA-C-O 118.452 -0.785 . . . . 2.23 110.25 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 111.671 0.249 . . . . 3.79 111.671 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.43 ' O ' ' HD1' ' B' ' 27' ' ' PHE . 14.3 t -74.79 -36.24 62.5 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 122.053 -0.405 . . . . 2.78 111.736 -174.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.78 -25.59 67.98 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.146 -0.687 . . . . 3.58 109.146 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.607 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 t70 -80.0 -42.49 23.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.194 -0.912 . . . . 2.67 109.748 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -56.82 -31.57 64.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.607 -0.724 . . . . 2.16 111.074 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.43 ' HD1' ' O ' ' B' ' 23' ' ' THR . 8.3 m-85 -69.79 -13.23 62.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.921 -0.581 . . . . 1.84 112.551 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' B' ' 25' ' ' ASP . 4.6 pp -107.16 -19.56 13.57 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.1 -0.64 . . . . 2.39 110.127 171.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' B' ' 25' ' ' ASP . 31.9 mmmt -69.67 -47.63 62.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.151 -0.477 . . . . 2.91 110.826 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -61.73 -22.79 65.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 1.06 110.924 -176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -46.73 21.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.262 0.553 . . . . 1.02 110.274 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -76.44 -33.18 58.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.636 -0.711 . . . . 3.37 110.692 -176.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 31.8 t -68.81 -36.16 77.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.019 -0.537 . . . . 1.9 110.872 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -69.82 -34.27 73.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.963 0.411 . . . . 2.32 110.478 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.25 -34.61 73.05 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.244 0.545 . . . . 3.14 109.926 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.579 ' HA ' ' O ' ' B' ' 39' ' ' MET . . . -70.34 -10.62 59.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.569 -0.741 . . . . 2.58 111.471 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -67.55 -34.79 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.965 -0.383 . . . . 3.65 109.965 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -94.69 -48.71 5.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.992 0.425 . . . . 3.22 110.318 175.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . 0.579 ' O ' ' HA ' ' B' ' 36' ' ' ALA . 22.5 ptm -114.28 98.54 6.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.456 0.646 . . . . 4.43 110.665 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.973 0 CA-C-O 118.678 -1.068 . . . . 6.18 111.548 -179.231 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.476 0.496 0 N-CA-C 110.883 -0.468 . . . . 3.6 110.883 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.468 ' HA ' ' HB3' ' A' ' 99' ' ' ASN . 35.6 p -148.78 -35.72 0.19 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.147 -0.479 . . . . 1.99 110.71 179.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.458 ' HA ' HG21 ' A' ' 103' ' ' THR . 37.1 m80 -77.4 -17.6 58.01 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.366 -0.379 . . . . 0.61 111.636 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.606 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 19.6 p -148.51 162.59 39.32 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 121.736 0.779 . . . . 0.28 112.956 -176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 169.21 153.84 8.69 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 113.88 -1.509 . . . . 0.15 110.16 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.627 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -67.5 119.2 11.92 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.327 0.584 . . . . 0.19 112.187 -171.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.707 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -127.76 177.13 7.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 114.842 -1.072 . . . . 0.16 109.962 -179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.646 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.0 mp -131.11 137.27 56.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 110.307 -0.257 . . . . 0.36 110.307 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.695 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 54.5 t80 -150.44 134.46 16.9 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.628 -0.879 . . . . 0.39 108.628 -178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.695 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.5 mt-10 65.02 32.42 10.46 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.069 0.461 . . . . 1.33 110.919 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 44.5 mmtm 68.81 -8.0 0.69 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.045 -0.98 . . . . 2.23 112.895 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.538 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.0 p -95.5 148.37 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 N-CA-C 108.742 -0.836 . . . . 0.26 108.742 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.646 ' HA ' HG13 ' A' ' 8' ' ' ILE . 13.4 m -99.34 151.91 20.54 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.862 -0.608 . . . . 1.29 111.521 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.578 ' HA3' ' HA ' ' A' ' 31' ' ' SER . . . -174.34 -143.79 4.55 Favored Glycine 0 CA--C 1.5 -0.845 0 C-N-CA 120.883 -0.675 . . . . 0.17 112.824 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.627 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.9 mp -124.54 143.36 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 110.144 -0.317 . . . . 0.18 110.144 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.606 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.46 131.85 47.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 107.048 -1.464 . . . . 0.17 107.048 172.376 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.79 110.71 6.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 112.126 0.417 . . . . 0.15 112.126 -171.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.681 ' CD1' HD11 ' A' ' 104' ' ' LEU . 3.4 mp -93.22 129.39 43.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-O 121.065 0.46 . . . . 0.23 110.391 -179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -114.84 124.35 51.52 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.413 -0.812 . . . . 1.36 110.194 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' HG2' ' HB2' ' A' ' 25' ' ' ALA . 24.1 mt-10 -120.52 72.5 0.96 Allowed 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 108.067 -1.086 . . . . 1.47 108.067 168.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.34 -23.77 10.16 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 123.315 1.531 . . . . 3.67 108.423 166.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.0 -170.18 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 111.709 -2.496 . . . . 0.9 112.128 -161.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.0 m -73.46 169.81 16.7 Favored Pre-proline 0 C--N 1.316 -0.872 0 N-CA-C 105.752 -1.944 . . . . 1.23 105.752 174.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.614 ' CB ' ' HB2' ' A' ' 43' ' ' SER . 76.2 Cg_exo -32.84 125.01 0.11 Allowed 'Trans proline' 0 C--N 1.357 1.017 0 C-N-CA 122.627 2.218 . . . . 0.56 113.52 -145.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.564 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -36.0 132.33 0.52 Allowed 'General case' 0 CA--C 1.506 -0.738 0 O-C-N 125.512 1.757 . . . . 0.27 112.237 -169.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.08 144.28 43.88 Favored 'General case' 0 C--N 1.309 -1.185 0 C-N-CA 120.241 -0.584 . . . . 0.69 110.112 -177.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -102.91 127.44 50.12 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.083 -0.962 . . . . 0.59 108.69 179.107 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' HG13 ' A' ' 37' ' ' VAL . 4.5 m -117.34 106.75 13.58 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.958 -0.565 . . . . 0.22 110.453 -174.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.61 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 73.1 t90 -89.78 120.53 31.11 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 107.931 -1.137 . . . . 0.22 107.931 170.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.745 ' HA ' ' O ' ' A' ' 36' ' ' LYS . 24.4 ptt85 -129.45 128.86 43.8 Favored 'General case' 0 N--CA 1.427 -1.579 0 CA-C-N 115.96 -0.563 . . . . 1.93 109.871 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 53.9 p -61.2 145.04 52.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.262 0.553 . . . . 0.27 111.054 -174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.488 ' H ' ' HA2' ' A' ' 14' ' ' GLY . 14.8 t -80.26 -7.53 59.06 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.603 -1.258 . . . . 0.97 107.603 172.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -82.17 22.25 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.074 -1.876 . . . . 2.57 111.4 -176.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.9 23.16 5.41 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.263 -0.97 . . . . 1.07 113.531 -177.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.4 t70 67.83 57.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.801 0.81 . . . . 2.64 112.317 166.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.745 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 16.3 tttt -82.25 117.14 22.14 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.533 -1.284 . . . . 1.2 107.533 166.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CB ' ' A' ' 30' ' ' ARG . 22.4 t -115.72 130.71 69.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-O 121.229 0.538 . . . . 0.83 111.982 -164.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.592 ' CE1' ' HG2' ' A' ' 36' ' ' LYS . 6.4 m-70 -133.02 122.52 24.32 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.568 -0.901 . . . . 0.33 108.568 177.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -110.89 124.47 52.14 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.522 0.677 . . . . 0.32 111.866 -172.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.9 t -105.59 101.16 11.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 114.744 -1.116 . . . . 0.23 109.914 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.5 115.78 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 108.327 -0.99 . . . . 0.63 108.327 172.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' ' OH ' ' A' ' 111' ' ' TYR . 70.0 mt -61.44 -23.41 65.83 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.607 -1.179 . . . . 1.24 112.775 -167.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.614 ' HB2' ' CB ' ' A' ' 24' ' ' PRO . 22.7 t -54.28 -17.09 2.56 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 122.08 -0.388 . . . . 1.08 111.548 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -93.64 1.77 56.53 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-O 120.678 0.275 . . . . 0.36 111.281 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.549 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 12.9 mm -99.63 141.48 16.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.922 0.391 . . . . 0.36 111.094 -177.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.649 ' O ' ' HE2' ' A' ' 112' ' ' LYS . 24.1 t70 -103.17 -48.46 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.043 -0.526 . . . . 0.7 110.549 179.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' HG3' ' H ' ' A' ' 48' ' ' LEU . 19.6 tptm -134.52 172.97 12.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.165 0.507 . . . . 1.56 110.134 -176.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' H ' ' HG3' ' A' ' 47' ' ' LYS . 1.1 tt -141.55 142.34 33.53 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.845 -0.798 . . . . 1.37 108.845 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 98.0 mt-30 -136.34 160.47 38.61 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.626 -0.261 . . . . 2.28 110.396 -177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.652 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -149.33 166.18 29.77 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.156 -0.474 . . . . 0.43 110.319 -177.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 59' ' ' MET . 2.6 p -82.96 149.27 58.98 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-O 120.955 0.407 . . . . 0.55 111.415 177.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HG3' ' CG ' ' B' ' 34' ' ' GLU . 21.1 Cg_endo -61.12 138.38 77.56 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 123.085 2.524 . . . . 1.1 111.532 175.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.48 -15.1 62.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.033 0.444 . . . . 1.58 111.396 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 p -73.79 -16.29 61.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 1.55 110.682 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.2 t -94.9 151.05 19.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.935 -0.575 . . . . 1.32 109.548 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -69.52 -48.8 59.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.451 -0.341 . . . . 2.37 110.506 176.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 56' ' ' GLU . 4.2 ptpp? -71.3 124.11 23.8 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.632 -0.713 . . . . 2.29 111.503 -168.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -94.78 112.54 24.27 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.273 -0.876 . . . . 1.13 109.323 -177.297 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.458 ' HB3' HG23 ' A' ' 51' ' ' THR . 12.0 tpp -131.71 135.71 47.06 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.415 -0.357 . . . . 0.63 110.882 -175.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 101' ' ' LYS . 0.5 OUTLIER -117.14 148.15 41.82 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.917 -0.583 . . . . 0.48 109.478 173.502 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . 96.1 mtt180 -121.23 147.86 45.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.45 0.643 . . . . 2.37 111.347 174.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.621 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 3.9 mm? -111.1 107.13 16.4 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 107.512 -1.292 . . . . 0.7 107.512 170.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.518 HG13 ' HB3' ' A' ' 47' ' ' LYS . 3.3 mm -88.49 98.13 7.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 N-CA-C 108.304 -0.999 . . . . 0.41 108.304 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -73.93 141.13 28.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.177 -1.011 . . . . 0.37 112.443 -174.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 46' ' ' ASP . 18.2 mttt -60.18 134.75 57.35 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 107.696 -1.224 . . . . 1.16 107.696 174.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' OE1' ' A' ' 68' ' ' GLU . 0.5 OUTLIER -102.95 103.34 14.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 CA-C-O 122.697 1.237 . . . . 1.48 111.182 -168.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -112.19 90.82 3.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 113.359 -1.746 . . . . 4.14 108.86 167.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.534 ' OE1' HG23 ' A' ' 66' ' ' VAL . 12.3 mp0 -73.29 -58.05 3.58 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 117.594 -1.642 . . . . 4.61 110.841 -177.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.1 p -107.23 -52.07 2.82 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 119.935 -0.706 . . . . 4.68 112.593 164.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -136.08 -11.52 1.96 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.364 -0.834 . . . . 6.99 112.627 -175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -49.14 132.29 19.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 114.24 1.2 . . . . 8.2 114.24 -161.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -134.47 171.82 13.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 113.696 -1.593 . . . . 10.67 110.661 -176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 9.9 mtmp? -70.87 171.92 9.82 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-N 114.77 -1.105 . . . . 8.97 109.978 173.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.493 ' CB ' ' HB2' ' A' ' 78' ' ' ASN . 15.5 t70 -64.82 174.1 2.0 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.395 -0.366 . . . . 8.74 111.947 -172.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -64.52 -31.88 73.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.073 0.463 . . . . 11.37 110.503 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -95.21 2.13 54.85 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.964 0.888 . . . . 11.2 108.619 176.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 94.35 -56.83 2.04 Favored Glycine 0 N--CA 1.431 -1.652 0 CA-C-N 114.164 -1.38 . . . . 8.81 109.919 -172.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.694 ' HB3' HG13 ' A' ' 80' ' ' VAL . 1.8 t-20 55.34 -14.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.232 1.013 . . . . 8.6 113.058 -173.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' A' ' 77' ' ' GLY . 9.0 pt-20 32.86 63.69 0.3 Allowed 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.282 1.033 . . . . 8.38 111.702 -161.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.694 HG13 ' HB3' ' A' ' 78' ' ' ASN . 4.2 m -76.71 148.86 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-N 115.164 -0.925 . . . . 5.39 109.357 177.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.5 p -107.3 101.32 38.16 Favored Pre-proline 0 N--CA 1.431 -1.392 0 CA-C-O 122.009 0.909 . . . . 4.27 109.984 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.496 ' HG2' HG13 ' A' ' 66' ' ' VAL . 49.1 Cg_endo -85.61 171.82 8.3 Favored 'Trans proline' 0 N--CA 1.441 -1.59 0 C-N-CA 123.323 2.682 . . . . 2.92 109.58 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.532 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 22.3 pttp -63.84 106.02 0.83 Allowed Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.726 0.774 . . . . 4.42 111.907 -175.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 6.0 Cg_exo -83.42 157.11 14.5 Favored 'Trans proline' 0 C--N 1.329 -0.469 0 C-N-CA 124.491 3.461 . . . . 0.94 114.691 -172.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -91.7 113.69 26.03 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.347 -1.353 . . . . 2.01 107.347 162.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HG2' HD13 ' A' ' 63' ' ' ILE . 20.0 mtm180 -100.8 146.79 26.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.756 0.789 . . . . 2.24 112.541 -174.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.621 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 33.3 m-70 -115.55 136.88 52.63 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.348 -1.296 . . . . 0.6 107.999 176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 33.1 ttm -125.61 133.44 52.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.19 -0.604 . . . . 0.73 111.258 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' CE1' HD23 ' A' ' 62' ' ' LEU . 20.6 m-85 -128.57 139.09 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.94 109.996 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 3.6 t -110.91 136.57 49.74 Favored 'General case' 0 C--O 1.212 -0.916 0 CA-C-N 116.581 -0.281 . . . . 1.3 110.452 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 41.9 m-85 -112.35 178.76 4.19 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.624 -0.88 . . . . 0.32 108.624 174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.497 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 21.0 p30 -130.69 33.78 4.2 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.357 0.598 . . . . 1.17 110.207 175.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.466 ' OD1' ' HB ' ' A' ' 95' ' ' THR . 24.6 t-20 -153.72 123.45 6.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.331 -0.85 . . . . 1.62 109.544 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -62.15 -38.47 89.12 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.852 -0.613 . . . . 3.68 111.309 -176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.466 ' HB ' ' OD1' ' A' ' 93' ' ' ASN . 58.6 m -64.54 -51.53 62.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.51 -0.314 . . . . 0.5 110.816 178.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 36.3 t -48.13 -58.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.222 -0.345 0 CA-C-N 115.923 -0.58 . . . . 0.27 111.863 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.656 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 10.6 ptm -55.29 -46.48 76.2 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 120.69 -0.404 . . . . 0.84 111.684 -175.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.656 ' N ' ' HG3' ' A' ' 97' ' ' MET . 20.5 t70 -63.94 -40.21 95.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.511 -0.768 . . . . 0.67 111.706 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.468 ' HB3' ' HA ' ' A' ' 2' ' ' SER . 7.0 m-20 -73.29 -44.83 58.41 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.044 -0.526 . . . . 1.55 111.132 -178.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.811 ' O ' HD13 ' A' ' 104' ' ' LEU . 42.8 mm -58.12 -45.18 88.56 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.351 0 N-CA-C 109.182 -0.673 . . . . 0.22 109.182 170.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.652 ' HD3' ' CB ' ' A' ' 50' ' ' ALA . 19.9 mtmt -42.91 -64.04 0.69 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 121.222 0.534 . . . . 0.92 111.509 175.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 40.3 ttp -57.47 -52.59 64.75 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-N 114.893 -1.049 . . . . 1.41 111.798 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.458 HG21 ' HA ' ' A' ' 3' ' ' HIS . 57.2 m -50.51 -45.47 56.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.302 -0.863 . . . . 0.27 111.323 -178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.811 HD13 ' O ' ' A' ' 100' ' ' ILE . 2.7 mp -75.15 -50.74 15.34 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.491 0.662 . . . . 1.03 109.314 -177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 2.2 tt0 -58.24 -44.66 88.37 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.476 -1.238 . . . . 1.72 112.368 -174.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 14.8 mm100 -63.3 -45.92 89.13 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.487 -0.133 . . . . 2.21 111.226 -178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.564 HG21 ' HB3' ' A' ' 25' ' ' ALA . 80.2 mt -56.35 -44.01 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.706 -0.479 . . . . 0.39 109.706 176.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.814 ' HA ' ' CZ ' ' A' ' 111' ' ' TYR . 70.1 mt -58.08 -54.9 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 CA-C-N 115.489 -0.778 . . . . 0.4 110.776 175.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.1 m -59.86 -22.35 62.19 Favored 'General case' 0 N--CA 1.433 -1.286 0 CA-C-N 115.6 -0.727 . . . . 1.32 110.833 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.441 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 97.5 mtt180 -72.45 -46.1 56.5 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.098 -0.501 . . . . 2.87 110.771 173.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.814 ' CZ ' ' HA ' ' A' ' 108' ' ' ILE . 4.6 p90 -86.39 2.76 46.42 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 120.301 -0.56 . . . . 2.75 111.581 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.649 ' HE2' ' O ' ' A' ' 46' ' ' ASP . 30.1 mttm -80.34 -37.95 31.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.391 0.615 . . . . 1.63 109.769 168.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.37 -37.37 19.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.13 -0.941 . . . . 1.6 109.888 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.01 20.25 12.12 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 114.196 -1.365 . . . . 1.33 112.691 169.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.646 -0.692 . . . . 2.23 110.969 -178.164 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.441 0.162 . . . . 3.79 111.151 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.422 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 22.6 p -71.92 -30.81 65.73 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.887 0.328 . . . . 2.78 111.887 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -58.83 -27.5 65.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.014 0.435 . . . . 3.58 110.598 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.03 -34.35 68.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 2.67 110.306 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.422 ' OD2' ' HA ' ' B' ' 23' ' ' THR . 61.0 m-20 -65.15 -27.38 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.537 -0.756 . . . . 2.16 110.525 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.809 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 52.1 m-85 -66.51 -18.03 65.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.992 -0.549 . . . . 1.84 111.789 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 9.6 mp -81.2 -45.46 16.3 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.719 -0.474 . . . . 2.39 109.719 174.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -68.72 -46.91 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 2.91 112.318 -175.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.809 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 29.0 p-90 -68.64 -23.49 64.43 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.234 -0.587 . . . . 1.06 110.815 -175.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -80.92 -46.21 15.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.868 0.366 . . . . 1.02 110.162 178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' B' ' 28' ' ' LEU . 21.7 mmm180 -64.64 -45.23 87.69 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 116.322 -0.399 . . . . 3.37 110.666 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 48.1 t -61.66 -29.9 70.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 1.9 110.554 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.51 ' CG ' ' HG3' ' A' ' 52' ' ' PRO . 6.4 tp10 -76.99 -45.96 25.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.089 -0.505 . . . . 2.32 110.712 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.45 -26.7 64.72 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.143 0.497 . . . . 3.14 110.387 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.68 -23.0 67.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.976 -0.556 . . . . 2.58 111.039 177.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -71.25 -32.34 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.968 0.413 . . . . 3.65 110.012 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.72 -46.05 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.582 . . . . 3.22 110.045 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 43.5 mtm -93.78 43.52 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.564 -0.743 . . . . 4.43 110.431 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.893 0 CA-C-O 118.934 -0.926 . . . . 6.18 111.648 -176.327 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.474 0.328 0 N-CA-C 110.42 -0.646 . . . . 3.6 110.42 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.8 p -72.72 -53.79 10.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 1.99 111.168 -178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.44 ' HA ' HG21 ' A' ' 103' ' ' THR . 63.9 m80 -93.08 -0.18 57.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.56 . . . . 0.61 112.03 -173.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 36.5 p -152.15 161.93 41.88 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.864 0.84 . . . . 0.28 112.778 -177.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.02 149.47 7.51 Favored Glycine 0 N--CA 1.438 -1.179 0 CA-C-N 113.903 -1.499 . . . . 0.15 110.413 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.606 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -66.83 117.74 9.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.37 0.605 . . . . 0.19 111.476 -174.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.799 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.64 170.67 11.28 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.024 -0.989 . . . . 0.16 109.776 -177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.66 HG13 ' HA ' ' A' ' 13' ' ' SER . 1.4 mp -129.74 134.34 63.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 109.578 -0.527 . . . . 0.36 109.578 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' A' ' 10' ' ' GLU . 45.4 t80 -147.35 130.36 16.31 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.276 -0.638 . . . . 0.39 109.276 -174.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.644 ' HG3' ' CD2' ' A' ' 9' ' ' PHE . 54.2 mt-10 62.35 40.56 11.08 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.279 0.561 . . . . 1.33 111.133 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 6.3 mptt 64.86 4.1 2.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.933 -1.031 . . . . 2.23 113.289 177.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG13 ' CH2' ' A' ' 29' ' ' TRP . 1.8 p -112.39 148.53 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.646 -0.502 . . . . 0.26 109.646 174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.66 ' HA ' HG13 ' A' ' 8' ' ' ILE . 9.8 t -97.04 153.39 17.96 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.815 -0.63 . . . . 1.29 111.957 -174.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -175.08 -150.31 7.78 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.431 -0.804 . . . . 0.17 111.968 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.606 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.8 mp -123.48 146.03 29.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.58 -0.526 . . . . 0.18 109.58 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.3 OUTLIER -99.91 131.57 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 107.104 -1.443 . . . . 0.17 107.104 171.256 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.74 113.4 8.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.847 0.356 . . . . 0.15 111.554 -170.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.702 HD11 HD11 ' A' ' 104' ' ' LEU . 3.1 mp -93.46 125.09 46.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.546 0.689 . . . . 0.23 111.711 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -98.59 141.12 31.82 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.395 -1.275 . . . . 1.36 110.662 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.676 ' O ' HG22 ' A' ' 22' ' ' VAL . 34.0 mt-10 -115.81 -147.18 0.41 Allowed 'General case' 0 N--CA 1.412 -2.364 0 N-CA-C 103.473 -2.788 . . . . 1.47 103.473 173.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -31.04 31.54 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 130.377 3.471 . . . . 3.67 118.271 -141.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 20' ' ' GLU . 33.8 m -95.69 -166.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.27 -2.869 0 CA-C-N 113.09 -1.868 . . . . 0.9 106.77 171.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.1 m -69.52 159.28 84.28 Favored Pre-proline 0 C--N 1.31 -1.151 0 N-CA-C 105.805 -1.924 . . . . 1.23 105.805 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HB2' HG23 ' A' ' 41' ' ' VAL . 85.1 Cg_exo -36.18 127.14 0.39 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.458 2.105 . . . . 0.56 113.262 -149.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -34.79 128.93 0.45 Allowed 'General case' 0 C--N 1.35 0.625 0 O-C-N 125.007 1.442 . . . . 0.27 111.667 -165.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -128.93 141.91 51.11 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.812 -0.631 . . . . 0.69 111.217 -168.168 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.477 HD12 HD11 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -102.56 129.78 49.21 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.561 -0.903 . . . . 0.59 108.561 177.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -122.39 107.93 12.63 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 116.513 -0.312 . . . . 0.22 111.22 -171.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.572 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 81.1 t90 -91.07 118.2 30.21 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 119.884 -0.726 . . . . 0.22 109.042 172.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.826 ' HB3' HG22 ' A' ' 37' ' ' VAL . 5.2 ptt180 -119.5 130.31 55.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.836 -0.62 . . . . 1.93 110.09 177.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.464 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 83.1 p -65.78 151.86 45.66 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 116.124 -0.489 . . . . 0.27 110.014 -177.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 56.6 p -49.76 -38.38 33.64 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.112 0.482 . . . . 0.97 111.347 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.26 -28.59 69.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 115.53 -0.759 . . . . 2.57 111.573 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.76 11.94 57.36 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.742 -0.663 . . . . 1.07 111.571 -177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -91.17 -47.28 7.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.014 0.435 . . . . 2.64 111.409 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 15.0 mttt -90.68 133.04 35.43 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.174 -0.466 . . . . 1.2 110.744 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.826 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 t -143.44 117.51 3.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.651 -0.87 . . . . 0.83 108.651 176.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -120.64 114.67 22.03 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.241 -0.652 . . . . 0.33 109.241 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.81 125.81 49.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.422 0.629 . . . . 0.32 111.429 -172.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t -113.99 100.96 11.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.972 -1.013 . . . . 0.23 110.146 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.1 OUTLIER -72.6 113.04 9.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.573 -0.899 . . . . 0.63 108.573 175.05 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.6 -22.3 8.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.894 1.072 . . . . 1.24 113.894 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.451 ' OG ' ' HB3' ' A' ' 24' ' ' PRO . 40.9 m -62.37 -16.87 57.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.909 0.385 . . . . 1.08 111.363 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -102.03 8.45 40.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.391 -0.368 . . . . 0.36 110.717 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.493 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 16.8 mm -109.45 142.1 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.299 -0.41 . . . . 0.36 110.722 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 18.5 t70 -109.13 -40.07 5.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.086 -0.506 . . . . 0.7 111.353 -173.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.6 ' HB3' HG13 ' A' ' 63' ' ' ILE . 2.6 tmtp? -135.27 174.74 10.27 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.181 0.515 . . . . 1.56 111.154 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -144.72 139.53 27.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.233 -0.894 . . . . 1.37 109.219 177.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 96.7 mt-30 -133.18 151.94 51.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.639 -0.255 . . . . 2.28 110.403 -177.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.491 ' CB ' ' HD3' ' A' ' 101' ' ' LYS . . . -146.41 145.54 30.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.46 -0.336 . . . . 0.43 110.461 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -73.48 151.94 89.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 0.55 111.293 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_endo -57.37 124.88 17.18 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.041 2.494 . . . . 1.1 111.774 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.67 -18.5 65.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 1.58 111.22 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.7 p -70.77 -16.73 62.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.839 -0.618 . . . . 1.55 110.945 177.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 t -89.8 164.06 14.8 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.999 -0.546 . . . . 1.32 110.161 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 2.0 tt0 -63.82 -44.74 92.35 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.29 0.567 . . . . 2.37 110.097 171.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HD2' ' HG2' ' A' ' 56' ' ' GLU . 31.7 mmmt -74.59 142.92 44.6 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.371 -0.832 . . . . 2.29 111.866 -168.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' PHE . 0.0 OUTLIER -137.27 113.0 9.52 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.182 -0.917 . . . . 1.13 110.161 -174.253 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.595 ' HB3' ' CH2' ' B' ' 31' ' ' TRP . 5.4 tpp -144.02 143.53 31.23 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.48 -0.782 . . . . 0.63 111.411 -170.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 HD23 ' CE2' ' A' ' 91' ' ' PHE . 1.8 mm? -116.43 147.37 41.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.04 0.448 . . . . 0.48 109.801 171.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.546 ' NE ' ' HD2' ' A' ' 86' ' ' ARG . 73.9 mtt180 -121.06 146.13 47.05 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 121.597 0.713 . . . . 2.37 111.542 174.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 87' ' ' HIS . 4.4 mm? -111.49 105.02 13.48 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.238 -1.346 . . . . 0.7 108.43 173.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.6 HG13 ' HB3' ' A' ' 47' ' ' LYS . 14.0 mm -87.11 99.91 9.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.787 -0.82 . . . . 0.41 108.787 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.563 ' O ' ' HB3' ' A' ' 84' ' ' PRO . . . -64.67 155.59 47.56 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.849 -0.691 . . . . 0.37 113.103 -174.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 46' ' ' ASP . 60.0 mttt -76.38 155.39 34.11 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.98 0.895 . . . . 1.16 112.439 -178.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.27 149.04 19.64 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.289 0 CA-C-N 113.687 -1.597 . . . . 1.48 108.237 172.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 10.0 t70 -59.11 142.28 51.91 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.787 -0.449 . . . . 4.14 109.787 176.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -59.22 -32.08 69.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.305 -0.861 . . . . 4.61 112.687 -170.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -91.46 -8.62 47.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.141 0.496 . . . . 4.68 110.689 178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.606 ' HB3' HG12 ' A' ' 81' ' ' VAL . 59.9 mmtt -101.5 4.03 40.77 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.611 0.72 . . . . 6.99 110.741 176.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' O ' HG21 ' A' ' 80' ' ' VAL . 36.4 tttt -53.7 164.81 0.5 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.527 -1.215 . . . . 8.2 110.157 172.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -51.04 167.06 0.08 Allowed 'General case' 0 N--CA 1.476 0.85 0 O-C-N 123.649 0.593 . . . . 10.67 112.556 -162.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -62.41 145.9 52.8 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.938 0.875 . . . . 8.97 112.646 -157.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.512 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 17.5 t70 -97.18 -176.28 3.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 113.964 -1.471 . . . . 8.74 112.158 -163.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.441 ' H ' ' CG ' ' A' ' 74' ' ' ASP . 33.4 m-80 -62.27 -33.34 74.44 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.937 0.399 . . . . 11.37 111.223 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -101.56 8.37 41.89 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.766 -0.827 . . . . 11.2 108.766 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' A' ' 79' ' ' GLU . . . 99.86 -56.95 0.84 Allowed Glycine 0 N--CA 1.434 -1.467 0 CA-C-N 114.573 -1.194 . . . . 8.81 110.772 -178.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 74' ' ' ASP . 0.0 OUTLIER 59.42 -13.59 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.925 0.89 . . . . 8.6 112.602 -173.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' A' ' 77' ' ' GLY . 6.3 pt-20 27.87 71.73 0.05 OUTLIER 'General case' 0 C--O 1.234 0.244 0 C-N-CA 124.374 1.07 . . . . 8.38 111.987 -165.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.499 HG13 ' HB3' ' A' ' 78' ' ' ASN . 32.4 m -76.33 154.14 5.87 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 114.297 -1.319 . . . . 5.39 110.629 -178.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.606 HG12 ' HB3' ' A' ' 70' ' ' LYS . 12.2 p -44.65 133.89 4.8 Favored Pre-proline 0 CA--C 1.535 0.39 0 O-C-N 123.691 0.619 . . . . 4.27 110.037 175.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.28 174.79 0.43 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.438 2.759 . . . . 2.92 113.866 -175.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 67.9 mttm -38.09 141.97 0.49 Allowed Pre-proline 0 N--CA 1.466 0.345 0 C-N-CA 123.971 0.908 . . . . 4.42 113.008 -176.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.563 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 71.4 Cg_exo -44.91 134.54 10.62 Favored 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 124.966 3.777 . . . . 0.94 113.47 -173.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -70.78 114.06 8.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.313 -0.858 . . . . 2.01 109.877 -174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.546 ' HD2' ' NE ' ' A' ' 61' ' ' ARG . 21.0 ttp180 -111.16 140.18 45.92 Favored 'General case' 0 N--CA 1.432 -1.356 0 CA-C-N 115.654 -0.703 . . . . 2.24 112.71 -167.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 62' ' ' LEU . 30.8 m-70 -102.69 155.67 18.15 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 108.48 -0.933 . . . . 0.6 108.48 174.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 29.1 ttm -138.49 133.01 32.13 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.1 -0.24 . . . . 0.73 110.408 177.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -127.52 137.74 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.932 -0.396 . . . . 0.94 109.932 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.605 ' HB2' ' HB ' ' A' ' 8' ' ' ILE . 30.2 m -100.88 129.14 46.7 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.054 -0.521 . . . . 1.3 111.325 -175.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.799 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 95.6 m-85 -113.42 177.59 4.58 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.225 0.536 . . . . 0.32 111.01 175.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -134.01 26.76 3.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.06 -0.973 . . . . 1.17 110.736 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -160.88 131.26 5.19 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 110.146 -0.316 . . . . 1.62 110.146 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 8.5 mpt_? -67.48 -30.89 70.7 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.361 -0.381 . . . . 3.68 111.062 -179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 97.3 m -61.84 -53.3 57.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.923 0.392 . . . . 0.5 110.213 177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 91' ' ' PHE . 80.9 t -52.57 -49.11 46.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.515 -0.766 . . . . 0.27 110.428 173.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 62.2 mmm -45.88 -57.3 4.46 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 112.607 0.595 . . . . 0.84 112.607 175.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.654 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 14.2 t70 -66.15 -38.99 89.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.161 -0.472 . . . . 0.67 111.025 -174.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -68.59 -56.09 9.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.102 -0.499 . . . . 1.55 110.997 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 104' ' ' LEU . 49.1 mm -59.05 -39.04 77.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 0.22 109.964 176.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.654 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 18.1 mtmt -49.75 -64.1 0.91 Allowed 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.502 0.668 . . . . 0.92 110.619 174.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.522 ' HG2' ' NE2' ' A' ' 106' ' ' GLN . 27.2 ttm -58.52 -49.87 75.83 Favored 'General case' 0 N--CA 1.434 -1.233 0 CA-C-N 114.248 -1.342 . . . . 1.41 112.046 -176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.44 HG21 ' HA ' ' A' ' 3' ' ' HIS . 96.6 m -52.19 -46.68 65.67 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.27 111.887 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 100' ' ' ILE . 4.5 mp -77.04 -50.48 13.01 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.158 0.504 . . . . 1.03 109.661 -175.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.579 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -51.51 -47.9 63.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.768 -1.106 . . . . 1.72 111.88 -178.338 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.522 ' NE2' ' HG2' ' A' ' 102' ' ' MET . 49.0 mt-30 -62.03 -47.37 85.06 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.717 0.294 . . . . 2.21 111.111 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.514 ' HA ' ' HD2' ' A' ' 110' ' ' ARG . 70.5 mt -62.9 -41.59 93.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.239 -0.437 . . . . 0.39 110.717 179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 112' ' ' LYS . 67.9 mt -59.58 -47.0 92.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.281 -0.418 . . . . 0.4 110.015 174.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.5 t -57.38 -34.57 68.99 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.07 -0.514 . . . . 1.32 110.926 177.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.514 ' HD2' ' HA ' ' A' ' 107' ' ' ILE . 99.2 mtt180 -60.91 -41.41 96.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.117 0.484 . . . . 2.87 110.566 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -94.55 3.66 54.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.77 0.795 . . . . 2.75 109.789 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 108' ' ' ILE . 28.0 tttm -92.62 -50.91 5.36 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.564 -1.198 . . . . 1.63 108.831 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.46 -36.0 78.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.522 -1.217 . . . . 1.6 109.012 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.82 26.27 6.01 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 113.708 -1.587 . . . . 1.33 111.659 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.567 -0.73 . . . . 2.23 109.855 176.69 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.464 0.173 . . . . 3.79 111.305 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.48 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 7.1 t -88.34 -26.57 22.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.211 0.529 . . . . 2.78 110.98 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 15.7 mm-40 -67.69 -23.72 65.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.515 -0.92 . . . . 3.58 108.515 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -78.98 -43.06 25.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.916 -1.038 . . . . 2.67 110.648 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.48 ' OD2' ' HA ' ' B' ' 23' ' ' THR . 0.9 OUTLIER -64.23 -21.06 66.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.13 0.49 . . . . 2.16 110.275 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -65.91 -13.0 58.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.354 -0.839 . . . . 1.84 110.975 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 mp -104.08 -24.1 13.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.295 -0.253 . . . . 2.39 111.141 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 17.4 ptmt -85.55 -34.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.989 -0.284 . . . . 2.91 111.427 -173.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.467 ' O ' ' HG2' ' B' ' 34' ' ' GLU . 7.8 p-90 -59.57 -26.62 65.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.15 0.5 . . . . 1.06 110.165 -178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . 0.595 ' CH2' ' HB3' ' A' ' 59' ' ' MET . 2.5 t-105 -60.25 -47.05 87.62 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.399 -0.819 . . . . 1.02 110.847 -178.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 35.4 ptt180 -84.28 -15.85 45.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.782 -0.645 . . . . 3.37 110.42 -176.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 17.6 m -73.14 -35.03 66.42 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.253 -0.647 . . . . 1.9 109.253 172.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 12.0 mm-40 -74.72 -38.59 62.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.495 -0.775 . . . . 2.32 110.116 175.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -65.66 -29.34 69.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.213 0.53 . . . . 3.14 109.906 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.25 -19.37 65.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.812 -0.631 . . . . 2.58 111.072 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.16 -17.19 60.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.062 0.458 . . . . 3.65 110.762 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -100.07 -24.94 14.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.402 0.62 . . . . 3.22 109.739 176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 58.5 ttp -79.86 -31.94 40.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.417 -0.81 . . . . 4.43 110.73 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.326 -1.263 . . . . 6.18 111.428 -179.558 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.515 ' HG2' ' OG ' ' A' ' 4' ' ' SER . 1.9 Cg_endo . . . . . 0 N--CA 1.476 0.445 0 N-CA-C 110.053 -0.787 . . . . 3.6 110.053 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 99' ' ' ASN . 32.8 p -75.97 -43.48 44.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.047 0.451 . . . . 1.99 110.755 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -91.17 4.18 52.88 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.547 0.573 . . . . 0.61 112.547 -175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 16' ' ' ILE . 16.7 p -162.16 159.59 26.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.7 0.762 . . . . 0.28 112.828 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.69 151.01 9.19 Favored Glycine 0 N--CA 1.441 -1.028 0 CA-C-N 114.216 -1.356 . . . . 0.15 110.427 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.633 ' HA ' ' HA ' ' A' ' 15' ' ' ILE . . . -69.75 115.58 9.15 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.232 0.539 . . . . 0.19 112.146 -172.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.834 ' HB2' ' CE1' ' A' ' 91' ' ' PHE . . . -125.28 173.55 8.73 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.18 -0.918 . . . . 0.16 110.23 -175.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.636 HG13 ' HA ' ' A' ' 13' ' ' SER . 2.1 mp -129.51 137.52 56.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 110.044 -0.354 . . . . 0.36 110.044 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.588 ' CD1' ' HG3' ' A' ' 10' ' ' GLU . 45.8 t80 -149.98 129.87 13.38 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.293 -0.632 . . . . 0.39 109.293 -177.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.588 ' HG3' ' CD1' ' A' ' 9' ' ' PHE . 48.8 mt-10 63.2 42.2 7.3 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.309 0.576 . . . . 1.33 111.244 -177.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -4.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.785 -1.098 . . . . 2.23 113.183 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG13 ' CH2' ' A' ' 29' ' ' TRP . 2.1 p -104.89 147.71 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.641 -0.503 . . . . 0.26 109.641 175.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.636 ' HA ' HG13 ' A' ' 8' ' ' ILE . 26.4 t -96.28 157.02 16.09 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.59 -0.732 . . . . 1.29 111.348 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' C ' HD12 ' A' ' 15' ' ' ILE . . . -176.12 -146.19 5.86 Favored Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.165 -0.925 . . . . 0.17 111.851 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.633 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 1.7 mp -125.51 146.86 30.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 N-CA-C 109.57 -0.53 . . . . 0.18 109.57 175.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -100.55 131.51 47.97 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.372 -1.344 . . . . 0.17 107.372 169.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.93 118.15 12.0 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.77 0.319 . . . . 0.15 111.775 -170.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.788 HD11 HD11 ' A' ' 104' ' ' LEU . 2.4 mp -95.54 122.48 47.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.392 0.615 . . . . 0.23 110.68 -178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -99.66 145.85 27.15 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.76 -1.109 . . . . 1.36 109.751 -178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 22' ' ' VAL . 41.6 mt-10 -111.87 -146.27 0.41 Allowed 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 105.833 -1.914 . . . . 1.47 105.833 -174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -37.68 30.4 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 131.13 3.772 . . . . 3.67 118.295 -142.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' O ' ' A' ' 20' ' ' GLU . 32.9 m -94.88 -168.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.265 -3.106 0 CA-C-N 113.334 -1.757 . . . . 0.9 106.413 169.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.9 m -69.64 149.58 96.86 Favored Pre-proline 0 C--N 1.305 -1.333 0 N-CA-C 106.131 -1.803 . . . . 1.23 106.131 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 41' ' ' VAL . 83.9 Cg_exo -34.53 125.43 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.964 2.443 . . . . 0.56 113.977 -142.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -24.99 125.29 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.805 0 O-C-N 125.647 1.842 . . . . 0.27 112.694 -168.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 41' ' ' VAL . 6.0 mt-10 -114.46 142.79 45.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.692 0.758 . . . . 0.69 111.047 -169.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 HD13 ' C ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -103.47 113.72 27.45 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 107.475 -1.305 . . . . 0.59 107.475 -176.064 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 8.5 m -115.43 107.84 15.71 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-N 115.931 -0.577 . . . . 0.22 111.2 -170.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 7' ' ' ALA . 75.9 t90 -88.0 129.02 35.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.793 -1.188 . . . . 0.22 107.793 169.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.769 ' CB ' HG12 ' A' ' 37' ' ' VAL . 13.3 ptt180 -137.68 135.62 36.65 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 121.835 0.826 . . . . 1.93 110.831 178.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' HB3' ' HB3' ' A' ' 36' ' ' LYS . 84.8 p -64.88 151.71 44.87 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 114.045 -1.434 . . . . 0.27 110.472 -173.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.46 HG23 ' HA2' ' A' ' 14' ' ' GLY . 19.8 p -53.47 -25.91 18.3 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 113.278 0.844 . . . . 0.97 113.278 -169.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -83.28 -22.76 32.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.186 0.517 . . . . 2.57 111.034 -179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.31 6.23 58.87 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.999 -0.62 . . . . 1.07 112.155 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -80.84 -64.19 1.24 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.799 0.333 . . . . 2.64 111.342 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 30' ' ' ARG . 13.4 tttp -85.05 119.44 25.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 116.019 -0.537 . . . . 1.2 111.007 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.769 HG12 ' CB ' ' A' ' 30' ' ' ARG . 12.6 m -129.88 150.33 34.51 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 CA-C-N 115.445 -0.798 . . . . 0.83 109.387 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.568 ' O ' ' HA ' ' A' ' 28' ' ' THR . 11.2 m-70 -142.61 120.59 12.06 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.453 -0.943 . . . . 0.33 108.453 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 HG23 ' OG1' ' A' ' 28' ' ' THR . 1.0 OUTLIER -109.63 116.87 32.53 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.667 0.746 . . . . 0.32 111.738 -172.591 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.556 ' CG1' HD11 ' A' ' 45' ' ' ILE . 58.0 t -103.77 99.16 7.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.87 -1.059 . . . . 0.23 110.755 -178.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.431 HG23 ' HB2' ' A' ' 24' ' ' PRO . 0.2 OUTLIER -70.84 116.99 13.32 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.901 -0.777 . . . . 0.63 108.901 175.238 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 25' ' ' ALA . 2.4 mm? -51.75 -23.2 4.26 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.067 1.136 . . . . 1.24 114.067 -172.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -68.5 -11.33 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.944 0.402 . . . . 1.08 111.005 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 p -100.65 6.77 44.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.904 0.383 . . . . 0.36 110.526 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.57 ' HA ' ' HA2' ' A' ' 64' ' ' GLY . 30.0 mm -99.33 146.99 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.972 -0.558 . . . . 0.36 111.839 -178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -115.8 -43.83 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.7 110.91 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.53 ' HG3' ' N ' ' A' ' 48' ' ' LEU . 48.9 tptt -135.28 174.54 10.5 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.981 -0.378 . . . . 1.56 109.981 -177.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.53 ' N ' ' HG3' ' A' ' 47' ' ' LYS . 0.5 OUTLIER -144.08 135.12 25.41 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.791 -0.818 . . . . 1.37 108.791 172.609 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.521 ' HB2' ' HB2' ' A' ' 61' ' ' ARG . 12.8 mm100 -125.32 147.03 49.3 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 116.266 -0.424 . . . . 2.28 110.153 -178.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.68 155.12 48.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.103 -0.498 . . . . 0.43 109.981 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 59' ' ' MET . 5.8 p -75.39 152.94 85.85 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.92 0.39 . . . . 0.55 111.752 -178.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -57.55 124.03 15.14 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 123.047 2.498 . . . . 1.1 111.852 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.05 -21.44 64.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.53 . . . . 1.58 111.402 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 p -68.92 -19.93 64.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.841 -0.618 . . . . 1.55 110.866 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.7 t -93.44 162.44 13.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.145 -0.479 . . . . 1.32 109.808 178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' HA ' ' NH2' ' A' ' 94' ' ' ARG . 1.8 tt0 -71.75 -41.92 67.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.163 0.506 . . . . 2.37 110.76 174.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -69.02 119.72 13.76 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.195 -0.911 . . . . 2.29 111.42 -166.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.649 ' SD ' ' HD3' ' A' ' 94' ' ' ARG . 15.5 mtm -101.77 112.72 25.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.933 -1.031 . . . . 1.13 110.036 -177.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.475 ' HB3' HG23 ' A' ' 51' ' ' THR . 8.4 tpp -140.32 141.3 35.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.009 -0.541 . . . . 0.63 110.238 -176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.674 HD11 ' HG3' ' A' ' 101' ' ' LYS . 2.2 mm? -116.81 150.82 37.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.173 -0.467 . . . . 0.48 110.147 172.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.537 ' HA ' ' O ' ' A' ' 87' ' ' HIS . 82.6 mtt180 -126.37 133.85 51.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.688 -0.687 . . . . 2.37 110.932 170.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.883 HD23 ' CE2' ' A' ' 89' ' ' PHE . 1.3 mm? -96.6 107.17 19.55 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.913 -1.143 . . . . 0.7 107.913 171.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 47' ' ' LYS . 7.8 mm -87.52 99.3 8.41 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 C-N-CA 120.11 -0.636 . . . . 0.41 109.472 -177.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.57 ' HA2' ' HA ' ' A' ' 45' ' ' ILE . . . -70.58 158.69 53.65 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.721 -0.951 . . . . 0.37 110.721 177.434 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -59.61 160.13 7.6 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-O 121.765 0.793 . . . . 1.16 110.049 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' HA ' ' A' ' 84' ' ' PRO . 7.5 m -91.43 154.36 3.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 CA-C-N 114.635 -1.166 . . . . 1.48 111.17 -166.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 69' ' ' SER . 3.8 m-20 -61.85 150.05 38.47 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.394 -1.275 . . . . 4.14 111.144 176.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 70' ' ' LYS . 8.4 mp0 -55.16 -0.57 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 114.817 -1.083 . . . . 4.61 113.37 -177.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 67' ' ' ASP . 4.2 m -60.31 5.38 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.685 0.794 . . . . 4.68 112.332 174.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' H ' ' C ' ' A' ' 68' ' ' GLU . 40.0 mttt -65.7 -8.92 23.47 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.041 0.536 . . . . 6.99 110.583 178.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -53.26 158.98 1.43 Allowed 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.436 -0.802 . . . . 8.2 113.125 -176.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -57.6 173.2 0.3 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.766 -1.106 . . . . 10.67 112.031 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 77' ' ' GLY . 61.3 mttp -65.38 146.16 55.25 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.998 -1.001 . . . . 8.97 110.607 -174.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -82.03 -173.47 4.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.778 -1.101 . . . . 8.74 111.001 -168.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -66.19 -31.76 72.78 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.243 0.474 . . . . 11.37 111.349 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -92.43 6.45 46.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.618 0.723 . . . . 11.2 109.492 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.478 ' O ' ' HB3' ' A' ' 73' ' ' LYS . . . 94.98 -57.25 1.8 Allowed Glycine 0 N--CA 1.433 -1.522 0 N-CA-C 109.934 -1.266 . . . . 8.81 109.934 -172.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.488 ' HB3' HG13 ' A' ' 80' ' ' VAL . 9.1 m-20 50.92 -55.89 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.992 1.108 . . . . 8.6 113.992 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 77' ' ' GLY . 36.9 mt-10 60.0 62.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.122 -0.695 . . . . 8.38 109.122 -172.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG13 ' HB3' ' A' ' 78' ' ' ASN . 3.6 m -82.19 145.66 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 5.39 110.443 -173.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.2 p -110.02 127.52 26.95 Favored Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 109.044 -0.724 . . . . 4.27 109.044 175.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.36 126.44 14.95 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.011 1.807 . . . . 2.92 111.994 -175.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 20.8 ptmt -92.92 125.57 54.67 Favored Pre-proline 0 C--N 1.316 -0.88 0 CA-C-N 115.805 -0.634 . . . . 4.42 111.226 -177.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 83' ' ' LYS . 9.7 Cg_exo -76.77 139.43 19.85 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 123.497 2.798 . . . . 0.94 111.293 174.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -90.43 114.12 26.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.259 -0.645 . . . . 2.01 109.259 174.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 62' ' ' LEU . 13.5 ptt180 -119.32 158.32 26.34 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 121.439 0.638 . . . . 2.24 111.904 -173.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.537 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 82.0 m-70 -116.08 145.92 42.63 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.762 -1.108 . . . . 0.6 108.557 -177.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HB2' ' HE2' ' A' ' 88' ' ' MET . 14.2 ttm -132.09 129.33 39.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 118.581 0.628 . . . . 0.73 112.332 -175.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.883 ' CE2' HD23 ' A' ' 62' ' ' LEU . 1.5 m-85 -126.43 132.99 51.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.435 -0.802 . . . . 0.94 111.78 -173.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.471 ' HB3' ' HB ' ' A' ' 8' ' ' ILE . 8.7 t -100.82 128.25 46.94 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.401 -0.363 . . . . 1.3 110.33 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.834 ' CE1' ' HB2' ' A' ' 7' ' ' ALA . 90.7 m-85 -112.34 176.95 4.8 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.247 -0.649 . . . . 0.32 109.247 172.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -136.91 31.03 2.75 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 121.313 0.578 . . . . 1.17 110.401 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -149.64 130.27 14.03 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.587 -0.733 . . . . 1.62 109.841 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.658 ' NH2' ' HA ' ' A' ' 56' ' ' GLU . 13.4 mmt180 -64.46 -43.91 92.76 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.101 -0.954 . . . . 3.68 111.572 -173.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.1 m -62.36 -48.22 80.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.279 -0.419 . . . . 0.5 110.792 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG11 ' CD1' ' A' ' 91' ' ' PHE . 42.4 t -48.85 -59.45 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.764 -0.653 . . . . 0.27 111.945 178.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.658 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 6.6 ptm -60.08 -48.39 81.94 Favored 'General case' 0 C--O 1.215 -0.72 0 C-N-CA 120.288 -0.565 . . . . 0.84 111.105 -174.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.658 ' N ' ' HG3' ' A' ' 97' ' ' MET . 24.3 t70 -58.09 -37.97 75.54 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.825 -0.625 . . . . 0.67 111.815 178.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.456 ' CG ' ' HA ' ' A' ' 2' ' ' SER . 8.7 t-20 -73.34 -54.05 9.29 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.912 -0.403 . . . . 1.55 109.912 -178.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 104' ' ' LEU . 44.0 mm -50.89 -46.51 29.65 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 115.748 -0.66 . . . . 0.22 109.776 171.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.674 ' HG3' HD11 ' A' ' 60' ' ' LEU . 25.1 mtpt -42.78 -64.0 0.69 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.443 0.64 . . . . 0.92 111.267 174.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.2 ttm -59.8 -53.8 53.76 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.626 -1.17 . . . . 1.41 112.174 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 107' ' ' ILE . 71.8 m -48.06 -46.21 33.18 Favored 'General case' 0 C--N 1.333 -0.149 0 O-C-N 123.451 0.47 . . . . 0.27 112.108 -177.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.788 HD11 HD11 ' A' ' 18' ' ' ILE . 3.8 mp -74.03 -50.99 17.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.499 0.666 . . . . 1.03 109.33 -176.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.517 ' HB2' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER -56.13 -43.49 78.26 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.456 -1.247 . . . . 1.72 111.958 -178.447 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -62.86 -41.87 99.54 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.689 -0.232 . . . . 2.21 111.216 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 25' ' ' ALA . 59.6 mt -66.39 -37.51 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.868 0.366 . . . . 0.39 110.217 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 104' ' ' LEU . 76.0 mt -59.05 -53.44 48.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.203 0.525 . . . . 0.4 109.947 172.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.429 ' HA ' ' HB2' ' A' ' 112' ' ' LYS . 47.1 t -59.45 -35.62 74.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.54 -0.754 . . . . 1.32 110.459 179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -55.94 -36.7 68.04 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 123.256 0.622 . . . . 2.87 111.989 175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CE2' HG22 ' A' ' 107' ' ' ILE . 28.0 m-85 -89.47 -16.71 30.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.452 . . . . 2.75 110.539 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.429 ' HB2' ' HA ' ' A' ' 109' ' ' SER . 79.1 mttt -78.06 -40.7 37.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.848 -0.615 . . . . 1.63 110.306 175.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -79.68 -23.57 42.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.908 0.861 . . . . 1.6 109.102 171.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 64.96 35.76 8.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 113.406 -1.725 . . . . 1.33 110.758 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 16.3 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 114.696 -1.138 . . . . 2.23 110.985 -177.687 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 28.3 t70 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.555 0.217 . . . . 3.79 111.246 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 2.2 p -55.37 -50.49 69.58 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.944 0.35 . . . . 2.78 111.944 -177.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.493 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 28.1 pt20 -60.36 -28.15 67.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 3.58 111.146 -179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -79.84 -32.84 40.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.431 0.634 . . . . 2.67 110.037 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -68.21 -40.23 82.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.444 -0.798 . . . . 2.16 109.835 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.641 ' HA ' ' CD1' ' B' ' 30' ' ' TRP . 43.7 m-85 -62.11 -16.84 55.27 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.5 -0.773 . . . . 1.84 111.967 177.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' B' ' 24' ' ' GLN . 83.4 mt -81.61 -53.29 6.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.008 0.432 . . . . 2.39 110.531 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -70.47 -46.0 64.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.734 -0.666 . . . . 2.91 112.394 -173.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.641 ' CD1' ' HA ' ' B' ' 27' ' ' PHE . 3.2 p-90 -60.81 -34.67 74.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.813 0.34 . . . . 1.06 110.448 -175.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -71.35 -46.51 60.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.302 0.572 . . . . 1.02 110.179 -176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -68.25 -20.49 64.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.598 -0.728 . . . . 3.37 110.49 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.6 t -71.39 -39.63 71.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.121 -0.49 . . . . 1.9 109.815 176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' B' ' 30' ' ' TRP . 7.5 mm-40 -66.59 -34.14 77.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.169 0.509 . . . . 2.32 110.296 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -76.93 -25.01 52.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.874 -0.603 . . . . 3.14 110.138 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.6 -44.64 33.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 2.58 111.586 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -59.12 -25.27 63.69 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.527 -0.306 . . . . 3.65 111.442 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -63.44 -40.91 98.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.022 0.439 . . . . 3.22 110.861 179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptm -101.85 31.03 4.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.167 0.508 . . . . 4.43 110.593 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 119.126 -0.819 . . . . 6.18 111.231 178.079 . . . . . . . . 0 0 . 1 stop_ save_