data_6k4w_residue ############################ # Computer software used # ############################ 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 6k4w _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.58 -45.81 70.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.364 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -101.42 -18.86 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 0.0 110.03 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.31 -26.49 66.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 110.839 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 29.9 m -63.49 -20.87 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.193 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -75.24 -29.88 60.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 -31.85 33.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.228 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t -63.99 -48.47 76.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.195 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 48.0 m-85 -75.93 6.17 5.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.053 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -68.21 -26.88 65.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.641 0.734 . . . . 0.0 109.429 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -80.54 -35.86 33.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.8 178.201 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 18.1 t . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.2 p -96.4 120.83 37.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.994 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.56 162.04 35.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.927 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -93.33 88.22 5.91 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.635 0.731 . . . . 0.0 109.891 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -86.39 111.5 20.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.522 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 45.94 38.91 4.97 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.148 0.905 . . . . 0.0 112.063 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.13 -20.45 48.8 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.382 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.15 132.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 117.122 0.461 . . . . 0.0 110.648 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -75.95 102.81 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.31 0.576 . . . . 0.0 110.048 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.6 p -106.85 141.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.889 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.6 p -130.67 135.89 48.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.088 0.47 . . . . 0.0 111.475 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.261 176.628 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 10.1 ptp85 -50.65 -49.78 56.21 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.734 0.413 . . . . 0.0 111.909 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.499 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 66.5 t-105 -98.51 -15.96 19.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 0.0 110.241 -176.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.12 -12.27 49.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.483 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.22 -29.73 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.039 0.447 . . . . 0.0 110.845 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -70.28 -33.09 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.79 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -18.09 28.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.671 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -61.81 -26.43 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.535 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.88 -12.25 34.96 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -84.15 -43.89 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.649 0.261 . . . . 0.0 110.66 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -78.4 -32.2 48.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.657 0.265 . . . . 0.0 110.468 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 109.729 175.223 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 8.0 p -118.21 127.03 53.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.445 0.641 . . . . 0.0 111.968 -174.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 m -131.04 173.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.928 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -102.76 90.02 3.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.669 0.747 . . . . 0.0 110.582 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 39.1 ttt180 -96.24 118.46 32.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.324 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.483 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 11.2 m-80 63.54 21.75 12.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.317 0.579 . . . . 0.0 109.578 -172.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.22 -5.7 82.18 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.184 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.4 t -99.59 134.96 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.075 0.464 . . . . 0.0 110.317 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 38' ' ' ARG . 15.7 ttp180 -69.98 106.91 3.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.0 p -108.98 131.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.956 -177.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.579 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 10.1 p -123.87 139.09 54.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.756 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 p80 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.469 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.39 -32.82 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.014 0.435 . . . . 0.0 110.391 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -85.99 -31.77 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.95 -33.12 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.788 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 4' ' ' GLY . 87.9 t -56.2 -52.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 0.0 109.845 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -61.62 -37.51 84.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.473 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.731 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -83.7 -10.7 57.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.596 0.713 . . . . 0.0 109.425 176.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -110.37 19.74 18.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.89 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -52.71 -34.09 50.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.274 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -76.06 -35.87 59.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 176.129 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -101.69 131.33 48.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.37 150.96 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.659 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -91.7 88.78 6.83 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HB2' HG21 ' A' ' 39' ' ' VAL . 72.5 mtp180 -91.86 120.36 32.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.404 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 46.73 33.7 2.23 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.141 0.901 . . . . 0.0 112.134 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.97 -12.07 65.78 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.399 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -99.4 137.67 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.453 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -79.65 92.9 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.899 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.2 t -87.78 129.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.012 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.64 134.59 49.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.27 0.557 . . . . 0.0 112.059 -174.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.719 171.604 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.46 0 CA-C-O 120.8 0.111 . . . . 0.0 113.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -68.06 -29.77 68.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.438 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 66.5 t-105 -92.87 -24.2 18.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 110.978 -172.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -1.08 28.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.924 0.393 . . . . 0.0 111.095 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.63 -23.86 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.604 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 18.0 ptt180 -61.02 -26.92 67.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 176.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.09 40.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.78 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -99.55 9.91 42.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.93 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 9' ' ' ARG . 24.0 m-85 -111.44 -7.24 14.36 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -80.81 -5.3 57.05 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.024 -172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -90.13 -25.55 20.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.276 174.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 4.3 p -90.99 121.14 32.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.671 -175.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.76 -179.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -115.06 109.61 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.355 -173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 28.4 ptt180 -107.75 114.62 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.376 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t30 56.65 38.94 29.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.743 0.782 . . . . 0.0 110.305 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.6 -13.31 36.01 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.025 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -98.86 134.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.008 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -73.35 129.83 38.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.312 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 p -126.94 136.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.674 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 17.5 m -125.39 135.9 52.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.012 0.434 . . . . 0.0 110.886 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 CA--C 1.511 -0.529 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.364 176.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.511 0 CA-C-O 120.278 -0.179 . . . . 0.0 112.774 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -8.06 52.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.1 -36.92 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 109.987 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.31 -23.86 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.6 -35.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.564 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -71.33 -46.49 60.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.166 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' HD1' ' A' ' 13' ' ' PHE . . . -77.65 1.81 18.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.042 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -54.67 -22.0 12.4 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -83.65 14.16 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.614 0.245 . . . . 0.0 110.995 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 54.9 p90 -58.05 -31.61 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -86.84 -18.95 29.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 110.007 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.503 0.668 . . . . 0.0 109.234 175.665 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.0 t . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -107.72 124.79 50.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.493 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.33 153.64 20.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.864 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -83.47 92.56 7.61 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.579 0.704 . . . . 0.0 110.017 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -100.85 103.21 14.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.665 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 69.07 40.13 1.64 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.842 0.83 . . . . 0.0 109.524 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.67 18.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.526 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.7 140.95 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.141 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -80.22 96.88 6.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.646 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.8 p -86.11 132.27 32.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.079 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.6 p -127.02 138.24 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.817 0.341 . . . . 0.0 111.077 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 175.293 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.849 -0.1 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -3.29 17.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -96.84 -51.22 4.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.907 0.384 . . . . 0.0 109.979 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -70.35 -25.85 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 9.8 p -62.81 -20.54 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -74.02 -15.5 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.41 -48.8 5.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.026 0.441 . . . . 0.0 110.629 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -64.31 -38.62 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.315 0.579 . . . . 0.0 110.305 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 45.9 m-85 -104.7 22.23 15.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.255 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -49.9 -33.73 18.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 111.739 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.521 ' H ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.4 -36.1 79.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.582 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.083 -178.827 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.4 p -119.02 132.32 56.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.607 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.89 172.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.984 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -96.13 96.37 8.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.631 0.729 . . . . 0.0 110.572 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HB2' HG13 ' A' ' 39' ' ' VAL . 69.7 ttt180 -91.23 108.61 19.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.362 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.27 41.25 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.757 0.823 . . . . 0.0 111.963 -177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.73 -20.02 51.67 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.159 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -100.79 132.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -73.6 106.31 5.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.93 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -106.96 136.83 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.378 -174.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 25.0 p -126.7 139.98 52.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 0.0 111.045 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.613 171.43 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 6' ' ' TRP . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 6.6 ppt_? -70.54 13.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.426 ' H ' ' C ' ' A' ' 4' ' ' GLY . 57.0 t-105 -97.94 -49.08 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -89.4 -35.44 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.93 -8.88 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.719 . . . . 0.0 109.705 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 47.5 ttp180 -57.84 -40.3 79.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.745 177.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.57 -22.6 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -72.24 -21.13 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.947 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.93 -16.6 62.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.268 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -67.67 -27.01 66.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.549 . . . . 0.0 109.888 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.82 -35.81 57.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.892 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.58 178.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.8 p -100.49 130.42 46.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.369 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.15 152.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.654 176.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -88.13 87.75 7.42 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.964 0.887 . . . . 0.0 109.806 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 63.0 ttt180 -103.32 115.2 30.1 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.904 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.56 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 16.3 m-80 67.07 21.79 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.616 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.23 -1.71 88.24 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.8 136.74 28.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -78.15 89.47 4.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.411 0.624 . . . . 0.0 109.77 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.1 t -87.8 116.98 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.509 -175.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 20.5 m -104.51 116.89 32.88 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.633 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.387 -177.173 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' NH1' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.6 -5.43 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 111.092 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.34 -38.05 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 110.028 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -63.59 -23.26 67.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.6 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.87 -51.72 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.303 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' NH1' ' A' ' 5' ' ' ARG . 13.9 ptm180 -66.45 -29.91 70.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.56 67.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -71.79 -40.66 69.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.722 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -69.95 -48.67 57.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.95 -30.13 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -60.89 -40.81 94.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.844 0.354 . . . . 0.0 110.325 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.567 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -101.82 121.03 41.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.9 -175.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.422 ' O ' HG11 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -141.22 153.12 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.996 176.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -86.92 89.49 8.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.404 0.621 . . . . 0.0 111.022 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -94.55 123.95 38.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 65.52 19.05 11.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.938 0.495 . . . . 0.0 109.993 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.65 -9.69 76.41 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.851 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.32 134.59 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.383 0.592 . . . . 0.0 110.677 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -72.1 92.64 1.34 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.209 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -87.52 141.94 13.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.485 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 21.8 m -131.3 137.99 49.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -176.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.935 173.551 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.217 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.53 -34.99 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.603 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -80.44 -27.74 37.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.689 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.81 -19.58 65.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.02 -38.37 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.51 0.671 . . . . 0.0 109.506 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -81.14 -24.51 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.641 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.32 0.07 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.401 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -112.7 -40.18 4.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 0.0 110.055 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -86.92 17.19 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -61.32 -27.83 68.77 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.272 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.325 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.018 179.218 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -104.87 133.05 50.33 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.263 -172.116 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.29 161.67 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.31 109.25 22.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.645 0.736 . . . . 0.0 110.996 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -112.51 115.35 28.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.045 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 62.94 31.5 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.827 0.822 . . . . 0.0 109.716 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.65 -9.58 58.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.631 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.71 136.59 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.17 0.51 . . . . 0.0 110.434 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -85.19 100.62 11.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.009 -176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.2 m -87.75 142.68 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.712 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -133.37 124.97 28.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.892 0.377 . . . . 0.0 111.116 -175.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 175.276 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -48.8 -37.16 18.41 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.151 0.58 . . . . 0.0 112.527 -174.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.451 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 14.9 t-105 -85.25 -38.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 0.0 110.094 -176.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -68.9 -38.01 79.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.024 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.06 -33.29 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -85.15 -6.64 59.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 110.319 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.18 -36.03 15.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.181 0.515 . . . . 0.0 109.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.191 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.31 18.92 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.74 -20.66 65.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.335 0.588 . . . . 0.0 111.068 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -64.14 -39.9 95.02 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.571 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.42 178.637 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.6 p -106.59 121.13 43.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.804 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.55 168.13 22.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.952 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.12 89.34 5.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.412 0.625 . . . . 0.0 110.13 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.607 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 51.6 ttp180 -95.42 117.92 31.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.638 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.607 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 6.2 m-80 62.96 19.19 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.999 0.52 . . . . 0.0 110.14 -175.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.62 55.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.951 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 34' ' ' ARG . 14.4 p -99.87 141.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 117.689 0.745 . . . . 0.0 110.82 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -72.68 104.31 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.083 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.1 p -106.6 128.0 61.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.535 -175.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.5 p -115.87 120.05 37.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.05 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.0 p80 . . . . . 0 C--N 1.318 -0.787 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.564 -177.166 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 119.978 -0.345 . . . . 0.0 113.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -46.81 -59.58 2.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.192 0.52 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -83.68 -16.38 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.886 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.66 -44.58 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 31.1 m -72.89 -9.11 12.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -101.64 2.93 39.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.059 0.457 . . . . 0.0 110.262 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.49 -61.43 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -94.01 -33.26 13.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.0 110.916 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' VAL . 84.8 m-85 -102.21 19.78 18.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.25 -31.58 53.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.832 0.349 . . . . 0.0 111.421 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.69 -31.51 72.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.341 0.591 . . . . 0.0 110.091 178.712 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 6.6 t . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.8 p -98.13 120.75 39.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 111.775 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.94 171.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.135 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -104.05 101.86 11.62 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.811 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 37' ' ' VAL . 97.2 mtt180 -102.21 121.39 42.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.732 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 44.95 35.31 1.48 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.802 0.841 . . . . 0.0 112.534 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -21.05 41.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.0 114.036 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 34' ' ' ARG . 11.8 p -99.54 139.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.667 0.734 . . . . 0.0 111.234 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.35 93.59 5.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.499 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.5 p -91.17 141.58 14.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.171 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 13.3 p -135.72 133.7 38.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.643 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 CA--C 1.507 -0.674 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.603 171.878 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 113.818 0.287 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -61.96 -31.26 71.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.192 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -102.51 -6.27 23.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.061 0.458 . . . . 0.0 110.379 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.46 -15.98 63.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 0.0 110.271 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.3 -21.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -88.98 -14.34 36.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.009 0.433 . . . . 0.0 110.479 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.29 -15.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -65.28 -30.75 71.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -63.45 -39.92 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -68.46 -30.17 68.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.21 0.529 . . . . 0.0 110.37 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.27 -44.37 62.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.915 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.003 176.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 3.7 t . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.677 ' SG ' ' HG2' ' A' ' 38' ' ' ARG . 1.7 t -111.82 130.06 55.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.532 0.682 . . . . 0.0 110.365 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -144.64 165.95 12.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.267 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -91.87 89.22 6.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.667 0.746 . . . . 0.0 110.137 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -92.29 114.17 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.161 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t30 65.57 19.72 11.53 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 122.002 0.906 . . . . 0.0 109.689 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.55 -19.72 49.39 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.795 -0.716 . . . . 0.0 113.135 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.1 141.34 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.677 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 47.1 ttp180 -79.12 97.25 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.387 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -103.33 138.53 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.683 -173.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -115.93 141.65 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.899 0.38 . . . . 0.0 110.785 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 p80 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 178.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.2 ptt180 -57.45 -41.61 80.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.407 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 68.1 p-90 -88.08 -27.92 21.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.08 0.467 . . . . 0.0 110.076 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -68.5 -42.0 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.6 -29.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.641 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.7 mmm180 -72.19 -35.28 68.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.173 0.511 . . . . 0.0 109.94 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.99 -0.09 56.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.321 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -100.97 -48.81 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -93.39 17.75 10.85 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -63.65 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.46 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.84 -34.29 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.301 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.143 178.151 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.742 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.2 p -112.41 133.56 54.43 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.68 165.3 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 m-85 -105.07 88.51 2.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.317 0.58 . . . . 0.0 110.907 -173.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -89.74 110.12 21.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.975 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 67.55 31.51 6.14 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 122.066 0.936 . . . . 0.0 109.639 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 4.39 71.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.632 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 23.7 t -98.5 134.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -81.35 89.95 6.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.604 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.742 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 1.3 m -87.18 142.02 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 28.4 m -129.9 139.54 51.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.499 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 7.3 ptp85 -73.52 -46.05 50.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.315 0.557 . . . . 0.0 110.8 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 72.5 t-105 -111.95 -41.68 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.951 -175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -78.13 0.24 25.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -166.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.58 -19.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.166 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -61.22 -34.94 75.93 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.235 0.541 . . . . 0.0 110.362 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 -22.51 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -64.43 -23.15 67.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -61.57 -16.38 47.46 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.697 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -80.87 -52.61 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.574 0.226 . . . . 0.0 111.419 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -73.75 -32.0 63.62 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.416 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 8.1 t . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 5.3 p -104.11 124.74 49.63 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.504 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 -179.2 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.989 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -112.82 95.48 5.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.09 0.471 . . . . 0.0 111.086 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -95.91 128.45 42.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.367 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p30 50.27 20.99 0.72 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.255 1.022 . . . . 0.0 112.261 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.62 -11.92 57.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.919 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.04 137.54 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 110.3 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -76.04 109.98 10.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.698 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.9 p -113.25 135.35 53.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.281 -174.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.0 p -122.71 145.1 48.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.128 0.49 . . . . 0.0 111.271 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.066 175.46 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.192 0 N-CA-C 112.99 -0.044 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -25.37 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.584 0.231 . . . . 0.0 111.199 -177.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -81.59 -37.48 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.33 -28.77 69.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.529 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 31.4 m -104.11 6.79 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 78.7 ttt180 -67.97 -50.16 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.568 -173.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.75 23.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.21 -178.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.529 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 5.4 p -85.19 -53.28 5.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -177.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -107.87 -46.31 3.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.65 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 74.9 t80 -56.98 -32.48 66.12 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -59.11 -42.21 90.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.141 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.194 178.757 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 21.2 p -100.49 128.45 46.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.291 0.567 . . . . 0.0 112.006 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -138.95 153.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.771 176.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -90.5 92.76 9.01 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.166 0.508 . . . . 0.0 111.186 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -96.66 114.78 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.282 175.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 t30 63.97 35.34 10.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.897 0.856 . . . . 0.0 109.304 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.48 -9.01 52.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.105 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 135.39 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.97 0.414 . . . . 0.0 110.201 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -78.43 89.74 4.42 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 110.044 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -82.93 136.27 23.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.726 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.87 133.18 44.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.045 0.45 . . . . 0.0 111.822 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.079 174.386 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.488 ' O ' HG21 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.529 ' HD3' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -60.7 -23.02 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.997 0.427 . . . . 0.0 111.297 178.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.529 ' N ' ' HD3' ' A' ' 5' ' ' ARG . 65.0 t-105 -90.54 -36.61 14.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -61.14 -44.78 96.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.496 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 4' ' ' GLY . 57.7 t -59.48 -38.29 74.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.617 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -72.28 -48.54 41.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.456 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.8 81.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.655 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -62.18 -51.04 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.337 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.28 -26.39 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.77 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.58 -26.91 65.8 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 4.7 ttmp? -64.38 -44.85 90.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.89 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.052 179.634 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 16.3 t . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.696 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.0 p -103.84 125.18 50.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.523 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 m -135.66 163.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.01 89.17 7.31 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.468 0.652 . . . . 0.0 109.414 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -103.2 118.5 36.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.6 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 65.19 20.58 11.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.528 0.68 . . . . 0.0 109.799 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.94 -18.83 56.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.721 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.28 137.95 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.462 0.649 . . . . 0.0 110.686 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.34 101.89 2.03 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.696 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -98.88 136.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.967 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 11.4 p -126.33 141.6 51.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.991 0.424 . . . . 0.0 111.402 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.856 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 120.625 0.014 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -80.76 -37.47 30.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -110.42 -23.53 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.78 -20.05 66.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -32.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.607 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -50.01 74.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.314 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.615 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -66.64 -51.51 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.008 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -62.33 -29.6 70.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.644 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.65 -29.04 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.222 0.534 . . . . 0.0 109.93 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.393 -178.852 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.2 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 16.5 p -112.01 137.68 49.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.631 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.64 159.41 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -89.51 91.15 8.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.534 0.683 . . . . 0.0 109.584 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -97.55 98.72 10.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.648 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 62.09 42.83 9.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.807 0.813 . . . . 0.0 109.769 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.14 -18.4 22.73 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.867 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -97.25 127.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.474 0.654 . . . . 0.0 110.193 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 37.0 ttt180 -82.73 98.83 9.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.14 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.736 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.7 m -92.3 138.33 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.572 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.7 p -126.79 128.47 46.63 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.974 0.416 . . . . 0.0 110.483 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.065 -179.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.411 0 N-CA-C 112.896 -0.082 . . . . 0.0 112.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.429 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -61.02 -20.76 62.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -84.85 -28.62 25.92 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.561 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.59 -29.78 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 5' ' ' ARG . 7.2 p -67.24 -16.43 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.989 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 75.2 ttt180 -65.48 -28.68 69.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -22.72 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.632 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -72.33 -22.64 61.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.106 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 9' ' ' ARG . 37.9 m-85 -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.302 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.04 -29.93 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.18 -35.98 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.336 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 . . . . . 0 C--N 1.329 -0.326 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.793 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.582 ' HB ' ' CD2' ' A' ' 41' ' ' HIS . 43.9 t . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 2.6 p -106.8 127.83 53.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.445 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.4 166.08 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -94.53 90.23 6.11 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.604 0.716 . . . . 0.0 110.561 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -96.94 110.21 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.129 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.19 31.87 10.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.964 0.888 . . . . 0.0 109.163 -174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.46 -20.72 25.47 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.333 -0.849 . . . . 0.0 113.29 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.34 141.93 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.463 0.649 . . . . 0.0 110.198 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -76.62 111.12 11.78 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.55 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.9 p -106.37 136.5 40.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.696 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.0 p -121.62 122.45 39.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.187 0.518 . . . . 0.0 111.138 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.943 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.414 0 N-CA-C 114.811 0.685 . . . . 0.0 114.811 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.461 ' NH1' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -74.65 -4.95 40.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.968 0.884 . . . . 0.0 110.523 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.461 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 58.8 t-105 -82.39 -13.11 57.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.286 0.565 . . . . 0.0 109.797 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.48 22.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.634 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 5' ' ' ARG . 15.6 m -55.07 -23.23 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.905 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.0 -25.51 65.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.389 . . . . 0.0 111.312 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.66 -20.47 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.6 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -82.0 -49.76 9.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -77.76 1.77 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.32 -33.5 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HZ3' ' HB3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -65.3 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 176.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 109.549 -179.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 4.0 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.9 p -119.66 143.05 47.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.584 -169.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.35 152.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.538 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 10.5 m-85 -82.63 96.45 8.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.352 0.596 . . . . 0.0 110.616 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB2' HG21 ' A' ' 39' ' ' VAL . 63.1 mtp180 -97.79 93.27 6.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.819 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.81 57.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.105 -174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.68 -18.24 4.91 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.752 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 17.1 t -97.84 135.46 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 0.0 110.556 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -82.18 103.95 12.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.2 t -103.24 118.87 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.311 -172.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -102.41 134.19 46.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.465 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -177.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -5.8 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.427 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -96.0 -36.02 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.23 0.538 . . . . 0.0 109.695 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -85.48 16.64 3.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.866 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.42 -17.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -63.81 -31.33 72.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.35 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -67.2 -44.89 78.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -66.74 -34.74 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.603 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.89 -36.53 84.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.343 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.16 -44.66 75.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.91 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 178.105 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.786 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.6 p -92.5 121.13 33.66 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.251 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 39' ' ' VAL . 6.6 m -132.4 156.31 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.23 90.01 7.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.536 0.684 . . . . 0.0 109.736 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -96.7 101.58 13.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.287 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 62.39 42.36 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.845 0.831 . . . . 0.0 109.853 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.85 -17.7 20.07 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.847 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.2 130.62 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.188 0.518 . . . . 0.0 110.214 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -84.38 100.72 11.47 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.515 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.786 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.0 m -88.55 142.18 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.731 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 19.5 m -133.15 111.63 11.07 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.1 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 121.229 0.537 . . . . 0.0 111.267 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.07 136.1 33.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.086 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.21 -4.43 47.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.58 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.58 -45.81 70.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.364 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -101.42 -18.86 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 0.0 110.03 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -60.31 -26.49 66.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 110.839 -177.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 29.9 m -63.49 -20.87 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.193 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -75.24 -29.88 60.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 -31.85 33.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.228 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t -63.99 -48.47 76.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.195 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.466 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 48.0 m-85 -75.93 6.17 5.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.053 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -68.21 -26.88 65.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.641 0.734 . . . . 0.0 109.429 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -80.54 -35.86 33.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.89 -1.68 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.8 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 6.91 11.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.429 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.83 -13.6 57.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.472 0.653 . . . . 0.0 109.637 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 20' ' ' GLU . . . -92.54 17.39 10.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.464 176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 13.24 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 18' ' ' ALA . 9.6 pt-20 -51.94 -41.14 61.82 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.171 0.441 . . . . 0.0 112.081 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.23 -25.45 29.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 110.462 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -84.51 11.12 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.228 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.19 52.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -164.92 110.57 0.95 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.617 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.69 45.9 5.91 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.972 -0.632 . . . . 0.0 114.255 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.509 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 67.9 t80 -119.32 -70.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.284 0.542 . . . . 0.0 109.968 172.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.59 50.54 1.81 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.759 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -113.01 25.42 11.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.691 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.86 126.35 41.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 18.1 t -87.69 97.39 6.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.2 p -96.4 120.83 37.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.994 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.56 162.04 35.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.927 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -93.33 88.22 5.91 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.635 0.731 . . . . 0.0 109.891 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -86.39 111.5 20.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.522 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 45.94 38.91 4.97 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.148 0.905 . . . . 0.0 112.063 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.13 -20.45 48.8 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.382 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.15 132.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 117.122 0.461 . . . . 0.0 110.648 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -75.95 102.81 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.31 0.576 . . . . 0.0 110.048 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.6 p -106.85 141.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.889 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.6 p -130.67 135.89 48.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.088 0.47 . . . . 0.0 111.475 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -133.46 152.89 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.261 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.77 131.33 35.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.924 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.89 149.89 49.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.999 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.29 81.32 3.06 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.492 -177.234 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.02 -173.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.367 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 3' ' ' GLN . 5.8 tp60 -75.87 132.19 40.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 0.0 110.568 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.15 27.0 22.31 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.7 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 10.1 ptp85 -50.65 -49.78 56.21 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.734 0.413 . . . . 0.0 111.909 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.499 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 66.5 t-105 -98.51 -15.96 19.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 0.0 110.241 -176.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.12 -12.27 49.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.483 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.22 -29.73 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.039 0.447 . . . . 0.0 110.845 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -70.28 -33.09 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.79 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -18.09 28.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.671 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -61.81 -26.43 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.535 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' A' ' 16' ' ' ALA . 82.1 m-85 -63.88 -12.25 34.96 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -84.15 -43.89 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.649 0.261 . . . . 0.0 110.66 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -78.4 -32.2 48.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.657 0.265 . . . . 0.0 110.468 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.13 -20.24 63.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 109.729 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 12' ' ' PHE . . . -77.82 -5.85 52.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.674 177.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.53 -11.35 58.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.404 0.621 . . . . 0.0 109.601 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.17 13.01 20.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.613 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.59 7.35 5.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.467 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -17.65 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 0.71 49.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.312 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.33 66.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.651 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.24 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.911 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -83.69 -9.39 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.37 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.45 38.45 1.33 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.898 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -108.7 21.37 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.4 170.63 19.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -87.64 -17.9 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.069 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -56.18 134.69 53.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.533 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t -88.44 97.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 8.0 p -118.21 127.03 53.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.445 0.641 . . . . 0.0 111.968 -174.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 m -131.04 173.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.928 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -102.76 90.02 3.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.669 0.747 . . . . 0.0 110.582 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.483 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 39.1 ttt180 -96.24 118.46 32.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.324 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.483 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 11.2 m-80 63.54 21.75 12.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.317 0.579 . . . . 0.0 109.578 -172.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.22 -5.7 82.18 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.184 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.4 t -99.59 134.96 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.075 0.464 . . . . 0.0 110.317 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 38' ' ' ARG . 15.7 ttp180 -69.98 106.91 3.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.0 p -108.98 131.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.956 -177.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.579 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 10.1 p -123.87 139.09 54.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.756 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -131.27 167.47 19.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.469 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -60.68 150.79 31.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.739 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 169.5 18.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.245 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.91 40.42 0.73 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.495 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.124 -177.61 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.62 -33.73 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.441 -170.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.426 ' HG3' ' H ' ' A' ' 6' ' ' TRP . 6.5 tp-100 -78.5 108.01 11.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -74.81 -35.85 49.4 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.368 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.39 -32.82 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.014 0.435 . . . . 0.0 110.391 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.426 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 3.4 t90 -85.99 -31.77 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.95 -33.12 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.788 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 4' ' ' GLY . 87.9 t -56.2 -52.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 0.0 109.845 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -61.62 -37.51 84.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.473 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.731 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -83.7 -10.7 57.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.596 0.713 . . . . 0.0 109.425 176.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -110.37 19.74 18.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.89 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -52.71 -34.09 50.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.274 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -76.06 -35.87 59.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.08 -50.29 42.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.88 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.49 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -41.86 84.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.34 -23.24 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.727 0.299 . . . . 0.0 111.707 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 8.9 mtpm? -97.28 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.0 111.658 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.14 -51.95 9.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.458 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 26' ' ' PHE . . . -65.14 -56.63 11.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.546 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.06 -20.64 26.01 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -50.26 10.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 11.7 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -171.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -174.41 66.1 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.879 -1.153 . . . . 0.0 112.595 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.432 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 31.3 p90 -94.79 7.3 46.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.512 0.196 . . . . 0.0 111.259 -176.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.61 121.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.238 0.961 . . . . 0.0 110.458 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -75.26 53.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.756 0.789 . . . . 0.0 110.96 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 82.6 m-20 -111.72 150.37 30.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.86 99.79 9.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -101.69 131.33 48.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.37 150.96 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.659 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -91.7 88.78 6.83 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HB2' HG21 ' A' ' 39' ' ' VAL . 72.5 mtp180 -91.86 120.36 32.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.404 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 46.73 33.7 2.23 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.141 0.901 . . . . 0.0 112.134 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.97 -12.07 65.78 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.399 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -99.4 137.67 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.453 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -79.65 92.9 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.899 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.2 t -87.78 129.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.012 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 22.1 p -127.64 134.59 49.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.27 0.557 . . . . 0.0 112.059 -174.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -131.1 145.59 52.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.719 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.44 130.2 41.29 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.958 -170.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.23 150.24 49.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.923 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 50.12 1.95 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.658 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.334 -179.698 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 t -81.9 73.23 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.365 0.602 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.497 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 2.5 tp60 -120.95 -168.18 1.61 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.601 -176.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' H ' ' HG3' ' A' ' 3' ' ' GLN . . . -54.09 -28.93 42.9 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.127 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -68.06 -29.77 68.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.438 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 66.5 t-105 -92.87 -24.2 18.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 110.978 -172.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -1.08 28.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.924 0.393 . . . . 0.0 111.095 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.63 -23.86 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.604 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.441 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 18.0 ptt180 -61.02 -26.92 67.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 176.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.09 40.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.78 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -99.55 9.91 42.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.93 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 9' ' ' ARG . 24.0 m-85 -111.44 -7.24 14.36 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -80.81 -5.3 57.05 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.024 -172.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -90.13 -25.55 20.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -80.88 -28.52 35.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.276 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.32 10.07 33.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.34 -4.37 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.156 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.95 -5.23 29.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -78.06 8.36 4.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.02 -23.84 65.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.03 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.761 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -74.47 -8.35 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.674 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.16 -30.72 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -94.69 -33.34 12.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.406 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.79 85.12 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.34 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 75.8 t80 -120.62 -32.89 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.658 . . . . 0.0 109.572 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.58 68.84 1.48 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.126 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -61.22 105.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 18.7 p-10 -80.55 110.99 16.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.648 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.7 t -88.53 98.43 7.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.489 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 4.3 p -90.99 121.14 32.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.671 -175.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -128.76 -179.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -115.06 109.61 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.355 -173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 28.4 ptt180 -107.75 114.62 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.376 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t30 56.65 38.94 29.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.743 0.782 . . . . 0.0 110.305 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.6 -13.31 36.01 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.025 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -98.86 134.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.008 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -73.35 129.83 38.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.312 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 p -126.94 136.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.674 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 17.5 m -125.39 135.9 52.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.012 0.434 . . . . 0.0 110.886 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -131.72 157.38 43.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.364 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -86.24 145.48 26.94 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.395 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -72.47 142.73 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.06 0.457 . . . . 0.0 110.418 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.05 67.79 9.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.767 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.987 -179.121 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.419 ' HA ' ' NE ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -115.48 124.81 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.129 0.49 . . . . 0.0 110.418 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 2.1 mp0 -99.41 108.52 21.03 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.41 -71.57 1.21 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.774 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -8.06 52.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.512 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . 79.1 t90 -60.1 -36.92 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 109.987 175.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.31 -23.86 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.6 -35.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.564 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -71.33 -46.49 60.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.166 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' HD1' ' A' ' 13' ' ' PHE . . . -77.65 1.81 18.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.042 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -54.67 -22.0 12.4 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -83.65 14.16 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.614 0.245 . . . . 0.0 110.995 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 54.9 p90 -58.05 -31.61 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -86.84 -18.95 29.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 110.007 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.47 -15.85 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.503 0.668 . . . . 0.0 109.234 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 14.26 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.581 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.05 -15.62 63.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -0.71 3.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HZ2' ' HB2' ' A' ' 19' ' ' LYS . 4.3 ttmp? -72.83 0.3 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.317 0.579 . . . . 0.0 110.105 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.6 -7.1 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.564 . . . . 0.0 110.038 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.69 -3.63 12.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.854 174.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.8 -26.1 61.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.07 56.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.799 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -131.19 7.0 4.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 0.0 110.708 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.68 103.42 2.8 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.057 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -94.08 -5.92 46.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.266 0.555 . . . . 0.0 110.305 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 57.57 3.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.247 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -83.54 -3.42 57.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.771 0.796 . . . . 0.0 109.574 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.507 HD21 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.783 172.736 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.0 t -87.97 97.57 6.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -107.72 124.79 50.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.493 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.33 153.64 20.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.864 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -83.47 92.56 7.61 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.579 0.704 . . . . 0.0 110.017 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -100.85 103.21 14.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.665 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 69.07 40.13 1.64 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.842 0.83 . . . . 0.0 109.524 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.67 18.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.526 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.7 140.95 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.141 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -80.22 96.88 6.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.646 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.8 p -86.11 132.27 32.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.079 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.6 p -127.02 138.24 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.817 0.341 . . . . 0.0 111.077 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -141.16 153.01 45.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -72.94 142.79 47.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.106 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -76.42 167.55 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.18 82.57 5.33 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.226 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.599 -178.102 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.609 0.242 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 m -102.64 96.73 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.381 0.61 . . . . 0.0 111.348 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -98.37 -171.07 2.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -36.64 64.72 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.331 -0.461 . . . . 0.0 112.849 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -3.29 17.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -96.84 -51.22 4.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.907 0.384 . . . . 0.0 109.979 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -70.35 -25.85 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 9.8 p -62.81 -20.54 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -74.02 -15.5 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.41 -48.8 5.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.026 0.441 . . . . 0.0 110.629 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -64.31 -38.62 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.315 0.579 . . . . 0.0 110.305 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.487 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 45.9 m-85 -104.7 22.23 15.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.255 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -49.9 -33.73 18.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 111.739 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.521 ' H ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.4 -36.1 79.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.582 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.31 -29.22 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.083 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.03 -14.75 63.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -17.22 42.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.331 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.56 21.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.329 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -25.13 67.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 111.084 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.03 -31.93 73.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.33 14.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.427 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.41 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.567 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.14 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.579 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -117.57 11.92 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.026 0.441 . . . . 0.0 110.904 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 98.11 1.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.023 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -79.53 -33.12 42.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.41 74.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.717 0.636 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -74.35 -22.67 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.177 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -62.52 148.34 46.18 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t -87.86 97.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -174.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.4 p -119.02 132.32 56.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.607 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.89 172.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.984 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -96.13 96.37 8.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.631 0.729 . . . . 0.0 110.572 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HB2' HG13 ' A' ' 39' ' ' VAL . 69.7 ttt180 -91.23 108.61 19.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.362 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.27 41.25 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.757 0.823 . . . . 0.0 111.963 -177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.73 -20.02 51.67 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.159 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -100.79 132.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -73.6 106.31 5.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.93 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -106.96 136.83 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.378 -174.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 25.0 p -126.7 139.98 52.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 0.0 111.045 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -120.56 162.85 18.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.613 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -62.74 130.04 43.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.707 -175.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -76.79 136.03 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.17 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.47 95.59 3.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.27 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -178.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.8 t 63.7 90.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 110.324 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -95.23 107.63 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.426 ' C ' ' H ' ' A' ' 6' ' ' TRP . . . -107.02 -24.69 6.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 6.6 ppt_? -70.54 13.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.426 ' H ' ' C ' ' A' ' 4' ' ' GLY . 57.0 t-105 -97.94 -49.08 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -89.4 -35.44 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.93 -8.88 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.719 . . . . 0.0 109.705 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 47.5 ttp180 -57.84 -40.3 79.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.745 177.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.57 -22.6 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -72.24 -21.13 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.947 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.93 -16.6 62.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.268 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -67.67 -27.01 66.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.549 . . . . 0.0 109.888 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.82 -35.81 57.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.892 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.03 -23.08 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.58 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.77 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.86 174.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.94 2.37 55.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.512 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.06 13.09 33.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.569 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.69 1.87 13.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.124 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.41 -15.93 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.211 0.529 . . . . 0.0 110.132 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.84 -11.85 57.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.05 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.86 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.29 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.68 -12.32 60.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.275 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -85.47 -54.65 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.97 36.2 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.312 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -120.46 1.95 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.833 0.825 . . . . 0.0 110.02 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -148.07 109.66 4.42 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.052 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 t90 67.05 105.37 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.064 0.853 . . . . 0.0 111.273 -174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -88.35 143.88 26.74 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.449 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.84 98.0 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.614 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.8 p -100.49 130.42 46.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.369 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.15 152.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.654 176.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -88.13 87.75 7.42 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.964 0.887 . . . . 0.0 109.806 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.56 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 63.0 ttt180 -103.32 115.2 30.1 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.904 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.56 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 16.3 m-80 67.07 21.79 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.616 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.23 -1.71 88.24 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.8 136.74 28.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -78.15 89.47 4.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.411 0.624 . . . . 0.0 109.77 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.1 t -87.8 116.98 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.509 -175.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 20.5 m -104.51 116.89 32.88 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.633 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -121.93 168.06 12.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.387 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -61.63 156.46 19.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.655 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -82.55 120.94 26.15 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.336 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.78 38.5 0.68 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.349 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.186 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t 70.0 -69.16 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.251 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -113.46 118.79 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.074 0.464 . . . . 0.0 110.771 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.35 -13.51 76.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.09 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' NH1' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.6 -5.43 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 111.092 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.34 -38.05 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 110.028 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -63.59 -23.26 67.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.6 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.87 -51.72 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.303 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' HD2' ' NH1' ' A' ' 5' ' ' ARG . 13.9 ptm180 -66.45 -29.91 70.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.56 67.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -71.79 -40.66 69.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.722 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -69.95 -48.67 57.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.95 -30.13 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -60.89 -40.81 94.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.844 0.354 . . . . 0.0 110.325 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -81.76 -34.81 30.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.3 81.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.539 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -74.63 -4.81 39.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.962 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.25 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.918 0.39 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -62.83 -28.89 70.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.305 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 8.9 pt-20 -63.57 -28.16 69.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.856 0.36 . . . . 0.0 110.765 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.41 59.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.499 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -58.0 -37.4 74.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.044 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.38 -15.47 63.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.737 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -101.9 53.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.112 0.482 . . . . 0.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 29.23 72.87 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.184 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.499 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 34.1 t80 -121.33 23.99 10.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.98 0.895 . . . . 0.0 109.265 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.62 52.91 2.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.893 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m-90 38.92 57.9 1.84 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.383 -1.28 . . . . 0.0 113.124 170.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 4.7 p30 -62.15 122.22 15.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.04 98.52 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 173.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -101.82 121.03 41.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.9 -175.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.422 ' O ' HG11 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -141.22 153.12 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.996 176.3 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -86.92 89.49 8.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.404 0.621 . . . . 0.0 111.022 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -94.55 123.95 38.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 65.52 19.05 11.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.938 0.495 . . . . 0.0 109.993 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.65 -9.69 76.41 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.851 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.32 134.59 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.383 0.592 . . . . 0.0 110.677 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -72.1 92.64 1.34 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.209 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -87.52 141.94 13.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.485 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 21.8 m -131.3 137.99 49.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -176.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -134.48 156.79 47.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.935 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.549 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -96.64 137.2 36.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.702 -175.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.81 144.39 50.81 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.05 70.36 6.3 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.547 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.616 0.245 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m -66.91 131.68 32.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.063 0.458 . . . . 0.0 110.664 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -109.73 178.51 4.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.415 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.36 -48.36 86.52 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.471 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.53 -34.99 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.603 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -80.44 -27.74 37.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.689 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.81 -19.58 65.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 -175.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.02 -38.37 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.51 0.671 . . . . 0.0 109.506 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -81.14 -24.51 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.641 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.32 0.07 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.401 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -112.7 -40.18 4.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 0.0 110.055 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -86.92 17.19 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -61.32 -27.83 68.77 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.272 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.325 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -91.76 -44.88 8.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.018 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.9 -70.4 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.07 17.65 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.75 -22.31 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -66.71 -0.9 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -16.87 62.88 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.876 0.369 . . . . 0.0 110.991 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.04 86.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -73.08 -3.0 23.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.695 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.62 53.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.413 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -170.74 56.49 0.03 OUTLIER 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 89.62 1.37 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.383 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 46.0 p90 -96.82 14.97 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 109.954 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.73 67.32 1.09 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.65 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -53.44 138.58 33.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.333 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 7.7 p30 -90.04 129.95 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.573 . . . . 0.0 111.268 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 t -100.75 99.24 8.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -104.87 133.05 50.33 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.263 -172.116 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.29 161.67 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.31 109.25 22.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.645 0.736 . . . . 0.0 110.996 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -112.51 115.35 28.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.045 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 62.94 31.5 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.827 0.822 . . . . 0.0 109.716 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.65 -9.58 58.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.631 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.71 136.59 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.17 0.51 . . . . 0.0 110.434 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -85.19 100.62 11.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.009 -176.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.705 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.2 m -87.75 142.68 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.712 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.6 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -133.37 124.97 28.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.892 0.377 . . . . 0.0 111.116 -175.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -117.55 161.62 19.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 175.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -76.36 118.57 19.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.796 -172.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -68.99 128.67 37.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.616 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.28 1.87 10.8 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.146 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -96.42 117.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.619 0.724 . . . . 0.0 111.553 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -127.14 162.58 25.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.326 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.97 27.9 6.4 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -48.8 -37.16 18.41 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.151 0.58 . . . . 0.0 112.527 -174.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.451 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 14.9 t-105 -85.25 -38.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 0.0 110.094 -176.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -68.9 -38.01 79.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.024 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.06 -33.29 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -85.15 -6.64 59.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 110.319 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.18 -36.03 15.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.181 0.515 . . . . 0.0 109.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.191 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.31 18.92 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.74 -20.66 65.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.335 0.588 . . . . 0.0 111.068 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -64.14 -39.9 95.02 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.571 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.93 -21.38 22.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.42 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.23 -6.95 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.151 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.74 -41.47 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.54 -12.28 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.166 0.508 . . . . 0.0 110.334 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -101.52 10.3 40.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.781 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.39 -43.69 83.85 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.97 70.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.84 0.352 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.28 -40.58 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.092 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.52 71.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.781 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.51 ' HB2' ' HZ2' ' A' ' 24' ' ' LYS . 10.0 mtmp? -94.0 8.97 39.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.048 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.17 75.95 1.3 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.867 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 28' ' ' TRP . 51.7 t80 -92.95 -30.37 15.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.258 0.551 . . . . 0.0 109.861 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.16 22.1 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.849 0.833 . . . . 0.0 110.225 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.546 ' O ' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m95 -126.77 3.85 6.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.863 -178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.97 145.14 56.0 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t -88.42 98.78 8.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -176.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.66 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.6 p -106.59 121.13 43.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.804 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.55 168.13 22.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.952 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.12 89.34 5.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.412 0.625 . . . . 0.0 110.13 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.607 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 51.6 ttp180 -95.42 117.92 31.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.638 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.607 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 6.2 m-80 62.96 19.19 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.999 0.52 . . . . 0.0 110.14 -175.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.62 55.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.951 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 34' ' ' ARG . 14.4 p -99.87 141.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 117.689 0.745 . . . . 0.0 110.82 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -72.68 104.31 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.083 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.1 p -106.6 128.0 61.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.535 -175.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.5 p -115.87 120.05 37.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.05 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -121.55 167.52 12.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.564 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -64.37 162.55 14.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.894 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.546 ' HD3' ' O ' ' A' ' 28' ' ' TRP . 72.8 mtm180 -100.66 159.1 15.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.592 -174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.01 24.02 13.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.087 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.344 -177.563 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.963 0.411 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m -91.01 168.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.783 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.12 108.97 16.77 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.07 12.97 66.59 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.033 -174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -46.81 -59.58 2.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.192 0.52 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -83.68 -16.38 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.886 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.66 -44.58 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 31.1 m -72.89 -9.11 12.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -101.64 2.93 39.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.059 0.457 . . . . 0.0 110.262 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.49 -61.43 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -94.01 -33.26 13.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.0 110.916 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' VAL . 84.8 m-85 -102.21 19.78 18.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.25 -31.58 53.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.832 0.349 . . . . 0.0 111.421 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.69 -31.51 72.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -90.93 -19.76 22.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.341 0.591 . . . . 0.0 110.091 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.2 -11.81 23.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.819 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.33 -30.79 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.91 6.04 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -77.82 -7.39 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.596 0.712 . . . . 0.0 110.085 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.68 -13.96 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.662 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.23 94.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.561 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -50.59 -31.15 15.09 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.583 178.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.29 -9.42 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -118.75 -85.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.715 0.293 . . . . 0.0 111.389 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.22 19.99 19.43 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.15 -174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 57.4 t80 -109.48 -9.67 14.91 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.638 0.732 . . . . 0.0 109.159 175.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB1' ' ND2' ' A' ' 29' ' ' ASN . . . -125.28 -173.93 2.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.918 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.4 m0 -85.1 50.59 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.228 0.537 . . . . 0.0 111.261 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.503 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 47.9 m-80 -91.27 132.39 36.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 6.6 t -89.39 99.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.164 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.8 p -98.13 120.75 39.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 111.775 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.94 171.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.135 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -104.05 101.86 11.62 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.811 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.446 ' O ' HG12 ' A' ' 37' ' ' VAL . 97.2 mtt180 -102.21 121.39 42.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.732 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 44.95 35.31 1.48 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.802 0.841 . . . . 0.0 112.534 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -21.05 41.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.0 114.036 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 34' ' ' ARG . 11.8 p -99.54 139.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.667 0.734 . . . . 0.0 111.234 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.35 93.59 5.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.499 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.629 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.5 p -91.17 141.58 14.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.171 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 13.3 p -135.72 133.7 38.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.643 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -129.27 149.79 50.91 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.603 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -90.13 141.87 28.27 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.839 -173.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -74.0 146.03 44.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.026 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.16 112.2 24.26 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.914 179.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.229 0.537 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -156.2 148.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -91.77 117.14 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.601 . . . . 0.0 109.968 177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.2 63.49 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.158 -0.928 . . . . 0.0 113.818 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -61.96 -31.26 71.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.192 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -102.51 -6.27 23.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.061 0.458 . . . . 0.0 110.379 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.46 -15.98 63.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 0.0 110.271 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.3 -21.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -88.98 -14.34 36.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.009 0.433 . . . . 0.0 110.479 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.29 -15.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -65.28 -30.75 71.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -63.45 -39.92 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -68.46 -30.17 68.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.21 0.529 . . . . 0.0 110.37 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.27 -44.37 62.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.915 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.7 -42.76 90.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.003 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.66 94.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.089 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.92 98.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.083 0.468 . . . . 0.0 110.961 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.24 -22.47 60.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.747 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -78.55 -40.83 33.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.67 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.51 -28.22 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.781 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.2 75.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.07 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.684 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.01 -6.35 26.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -136.67 -50.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.92 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.46 79.52 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.847 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -104.97 -20.4 13.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.337 0.589 . . . . 0.0 109.462 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.64 54.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.79 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.466 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.96 19.08 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.235 -178.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.74 160.6 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.437 . . . . 0.0 110.697 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 43' ' ' ARG . 3.7 t -89.55 98.47 8.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.677 ' SG ' ' HG2' ' A' ' 38' ' ' ARG . 1.7 t -111.82 130.06 55.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.532 0.682 . . . . 0.0 110.365 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -144.64 165.95 12.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.267 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -91.87 89.22 6.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.667 0.746 . . . . 0.0 110.137 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -92.29 114.17 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.161 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t30 65.57 19.72 11.53 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 122.002 0.906 . . . . 0.0 109.689 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.55 -19.72 49.39 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.795 -0.716 . . . . 0.0 113.135 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.1 141.34 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.677 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 47.1 ttp180 -79.12 97.25 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.387 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -103.33 138.53 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.683 -173.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -115.93 141.65 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.899 0.38 . . . . 0.0 110.785 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -144.38 167.79 21.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -61.74 159.27 13.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.052 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.47 ' HG3' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -95.55 146.97 24.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.258 0.551 . . . . 0.0 111.418 -175.609 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.73 11.08 16.75 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.605 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.25 1.131 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.86 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.14 117.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.505 0.669 . . . . 0.0 110.995 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -135.74 166.69 22.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.46 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.27 11.15 51.48 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.326 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.479 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.2 ptt180 -57.45 -41.61 80.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.407 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 68.1 p-90 -88.08 -27.92 21.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.08 0.467 . . . . 0.0 110.076 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -68.5 -42.0 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.6 -29.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.641 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.7 mmm180 -72.19 -35.28 68.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.173 0.511 . . . . 0.0 109.94 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.99 -0.09 56.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.321 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -100.97 -48.81 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -93.39 17.75 10.85 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -63.65 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.46 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.84 -34.29 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.301 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -73.59 -22.74 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.2 2.41 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 3.01 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.202 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.22 8.03 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.346 0.593 . . . . 0.0 110.288 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -67.46 -17.05 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.739 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.97 -20.15 63.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.94 -14.13 62.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.428 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.59 67.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.1 -20.46 59.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.638 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -93.38 -61.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.756 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.35 37.36 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.951 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -89.87 -17.49 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.649 0.738 . . . . 0.0 109.953 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' HB1' ' OD1' ' A' ' 29' ' ' ASN . . . -118.9 173.05 7.11 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.959 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' O ' ' HD3' ' A' ' 43' ' ' ARG . 68.2 m95 -84.66 47.07 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.487 0.661 . . . . 0.0 111.592 -174.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.456 ' OD1' ' HB1' ' A' ' 27' ' ' ALA . 1.9 p-10 -110.84 126.98 55.23 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.677 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t -89.33 97.17 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.742 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.2 p -112.41 133.56 54.43 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.68 165.3 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 m-85 -105.07 88.51 2.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.317 0.58 . . . . 0.0 110.907 -173.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -89.74 110.12 21.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.975 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 67.55 31.51 6.14 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 122.066 0.936 . . . . 0.0 109.639 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 4.39 71.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.632 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 23.7 t -98.5 134.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -81.35 89.95 6.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.604 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.742 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 1.3 m -87.18 142.02 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.573 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 28.4 m -129.9 139.54 51.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -135.43 170.29 16.17 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.473 ' HA ' HH21 ' A' ' 43' ' ' ARG . 74.0 mtp180 -59.83 155.58 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.861 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.473 HH21 ' HA ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.72 156.47 16.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.59 -29.51 13.02 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.788 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--O 1.251 1.171 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.084 174.773 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.79 0.329 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -108.13 161.45 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -79.42 118.02 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.164 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.85 -0.14 63.51 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.781 -172.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 7.3 ptp85 -73.52 -46.05 50.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.315 0.557 . . . . 0.0 110.8 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.4 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 72.5 t-105 -111.95 -41.68 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.951 -175.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -78.13 0.24 25.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -166.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.58 -19.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.166 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -61.22 -34.94 75.93 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.235 0.541 . . . . 0.0 110.362 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 -22.51 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -64.43 -23.15 67.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.571 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 53.3 m-85 -61.57 -16.38 47.46 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.697 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -80.87 -52.61 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.574 0.226 . . . . 0.0 111.419 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -73.75 -32.0 63.62 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -90.53 9.83 27.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 12' ' ' PHE . . . -69.22 -20.73 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -11.45 60.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.91 8.48 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.612 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -82.65 14.82 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.359 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.84 -19.61 18.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.961 0.41 . . . . 0.0 111.345 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.87 1.65 56.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.604 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.02 68.7 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -67.28 -11.2 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.447 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -96.41 7.75 45.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.79 28.73 13.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.192 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -98.35 7.29 46.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.706 0.765 . . . . 0.0 110.12 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -175.4 -24.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.263 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 20.0 m0 -114.42 93.37 4.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.688 178.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -110.42 122.21 47.15 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 8.1 t -88.22 98.26 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 5.3 p -104.11 124.74 49.63 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.504 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 -179.2 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.989 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -112.82 95.48 5.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.09 0.471 . . . . 0.0 111.086 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -95.91 128.45 42.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.367 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p30 50.27 20.99 0.72 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.255 1.022 . . . . 0.0 112.261 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.62 -11.92 57.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.919 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.04 137.54 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 110.3 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -76.04 109.98 10.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.698 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.9 p -113.25 135.35 53.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.281 -174.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.0 p -122.71 145.1 48.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.128 0.49 . . . . 0.0 111.271 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -138.86 166.35 24.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.066 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.525 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 30.3 ptt180 -62.3 145.81 52.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.213 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' HB3' ' A' ' 28' ' ' TRP . 75.6 ttt180 -100.51 143.48 30.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.93 104.92 9.88 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.437 175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.125 -177.007 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.72 0.295 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.44 81.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.183 0.516 . . . . 0.0 110.678 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.401 HE21 ' HB2' ' A' ' 3' ' ' GLN . 1.8 mp0 -86.32 135.04 33.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.84 176.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.42 25.33 4.45 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.99 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -25.37 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.584 0.231 . . . . 0.0 111.199 -177.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -81.59 -37.48 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.33 -28.77 69.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.529 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 31.4 m -104.11 6.79 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 78.7 ttt180 -67.97 -50.16 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.568 -173.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.75 23.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.21 -178.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.529 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 5.4 p -85.19 -53.28 5.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -177.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -107.87 -46.31 3.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.65 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 74.9 t80 -56.98 -32.48 66.12 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -59.11 -42.21 90.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.141 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -83.9 -36.58 23.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.194 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.06 77.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.43 79.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.735 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.35 81.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.596 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -72.32 -26.17 61.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -81.14 -55.81 4.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.053 0.454 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.15 -55.15 4.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.06 -174.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 12.75 1.92 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -172.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.68 -30.71 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.049 0.452 . . . . 0.0 110.291 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -150.0 126.55 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.957 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.51 -50.46 1.42 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.621 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.459 ' HA ' ' OD1' ' A' ' 29' ' ' ASN . 62.1 m-85 -112.02 25.84 11.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.222 0.534 . . . . 0.0 110.165 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.91 4.6 29.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.641 0.734 . . . . 0.0 110.614 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -139.96 44.12 1.92 Allowed 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.659 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.459 ' OD1' ' HA ' ' A' ' 26' ' ' PHE . 11.3 m120 -110.89 165.83 11.53 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.322 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 t -111.94 99.9 9.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.463 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 21.2 p -100.49 128.45 46.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.291 0.567 . . . . 0.0 112.006 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -138.95 153.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.771 176.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -90.5 92.76 9.01 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.166 0.508 . . . . 0.0 111.186 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -96.66 114.78 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.282 175.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 t30 63.97 35.34 10.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.897 0.856 . . . . 0.0 109.304 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.48 -9.01 52.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.105 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 135.39 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.97 0.414 . . . . 0.0 110.201 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -78.43 89.74 4.42 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 110.044 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -82.93 136.27 23.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.726 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.87 133.18 44.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.045 0.45 . . . . 0.0 111.822 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -124.88 163.36 22.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.079 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.45 146.25 36.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.855 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.32 146.05 29.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.35 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.46 71.46 1.76 Allowed 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.312 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.287 -177.318 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.604 0.24 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.77 162.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -116.54 109.8 17.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.488 ' O ' HG21 ' A' ' 8' ' ' VAL . . . -65.71 -32.43 83.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.27 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.529 ' HD3' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -60.7 -23.02 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.997 0.427 . . . . 0.0 111.297 178.056 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.529 ' N ' ' HD3' ' A' ' 5' ' ' ARG . 65.0 t-105 -90.54 -36.61 14.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -61.14 -44.78 96.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.496 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 4' ' ' GLY . 57.7 t -59.48 -38.29 74.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.617 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -72.28 -48.54 41.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.456 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.8 81.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.655 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -62.18 -51.04 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.337 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.28 -26.39 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.77 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.58 -26.91 65.8 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' HZ1' ' HB2' ' A' ' 14' ' ' LYS . 4.7 ttmp? -64.38 -44.85 90.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.89 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.51 -11.51 40.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.052 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.58 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.02 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.341 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.89 -22.73 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.248 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -69.74 -44.71 69.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.272 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -13.61 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 110.442 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.03 19.61 15.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.009 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -37.24 -44.94 0.61 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -91.46 61.0 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.22 0.533 . . . . 0.0 110.337 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.61 39.75 0.29 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.026 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -85.64 -27.28 25.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.67 17.96 22.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.578 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 7.0 m-90 50.52 94.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.024 -179.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 13.4 m120 -77.11 117.07 18.3 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.102 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 16.3 t -88.05 97.75 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.696 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.0 p -103.84 125.18 50.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.523 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 m -135.66 163.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.01 89.17 7.31 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.468 0.652 . . . . 0.0 109.414 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -103.2 118.5 36.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.6 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 65.19 20.58 11.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.528 0.68 . . . . 0.0 109.799 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.94 -18.83 56.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.721 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.28 137.95 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.462 0.649 . . . . 0.0 110.686 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.34 101.89 2.03 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.696 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -98.88 136.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.967 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 11.4 p -126.33 141.6 51.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.991 0.424 . . . . 0.0 111.402 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -137.55 165.67 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.856 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.508 ' H ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -79.04 132.89 36.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 -176.095 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 66.2 ttt180 -101.26 151.8 21.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.065 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.19 102.6 8.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.695 -0.669 . . . . 0.0 110.366 -179.473 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.606 0.241 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -97.26 129.54 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -84.44 109.5 17.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.618 0.723 . . . . 0.0 110.597 -178.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.91 24.95 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.079 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -80.76 -37.47 30.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -110.42 -23.53 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.78 -20.05 66.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -32.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.607 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -50.01 74.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.314 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.615 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -66.64 -51.51 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.008 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -62.33 -29.6 70.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.644 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.65 -29.04 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.222 0.534 . . . . 0.0 109.93 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -79.94 -30.1 39.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.393 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.42 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.84 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.629 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.42 -11.8 59.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.196 0.522 . . . . 0.0 110.787 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 60.5 tttm -85.49 12.23 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 109.983 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 6.6 pt-20 -67.1 4.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.354 -177.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -14.86 62.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.084 0.469 . . . . 0.0 110.798 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 26' ' ' PHE . . . -101.38 20.64 15.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 20' ' ' GLU . . . -51.99 -13.95 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.24 -40.93 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.383 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.84 19.12 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.11 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.463 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 84.9 m-85 -121.27 0.62 10.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.85 0.357 . . . . 0.0 111.257 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -171.85 66.16 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.014 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.63 50.93 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.596 0.712 . . . . 0.0 110.751 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -73.35 140.3 46.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.073 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.2 t -89.43 98.45 8.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 16.5 p -112.01 137.68 49.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.631 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.64 159.41 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -89.51 91.15 8.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.534 0.683 . . . . 0.0 109.584 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -97.55 98.72 10.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.648 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 62.09 42.83 9.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.807 0.813 . . . . 0.0 109.769 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.14 -18.4 22.73 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.867 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -97.25 127.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.474 0.654 . . . . 0.0 110.193 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 37.0 ttt180 -82.73 98.83 9.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.14 -177.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.736 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.7 m -92.3 138.33 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.572 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.7 p -126.79 128.47 46.63 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.974 0.416 . . . . 0.0 110.483 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -124.61 166.36 16.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.065 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.68 154.38 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.575 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -72.5 141.88 48.54 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -153.34 65.96 0.76 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.75 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.16 -177.385 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.453 ' HD3' ' H2 ' ' A' ' 1' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.285 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.52 50.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.281 0.562 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.46 146.71 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.24 28.37 3.38 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.896 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.429 ' O ' HG11 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -61.02 -20.76 62.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -84.85 -28.62 25.92 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.561 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.59 -29.78 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 5' ' ' ARG . 7.2 p -67.24 -16.43 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.989 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 75.2 ttt180 -65.48 -28.68 69.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -22.72 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.632 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -72.33 -22.64 61.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.106 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 9' ' ' ARG . 37.9 m-85 -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.302 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.04 -29.93 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.18 -35.98 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.336 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.75 -41.65 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.32 65.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.034 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.23 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 7.94 40.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.124 0.488 . . . . 0.0 110.399 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.88 -33.65 73.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.949 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.3 -34.49 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.157 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.23 -27.96 19.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.886 0.375 . . . . 0.0 110.387 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.39 68.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.312 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.13 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.487 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -78.33 -65.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.875 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.09 30.25 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.13 -1.033 . . . . 0.0 113.188 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -107.69 -17.93 13.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.219 0.533 . . . . 0.0 110.315 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.23 27.46 8.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.091 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -112.41 -0.26 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.605 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.16 128.33 35.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.255 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.582 ' HB ' ' CD2' ' A' ' 41' ' ' HIS . 43.9 t -88.24 97.66 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 2.6 p -106.8 127.83 53.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.445 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.4 166.08 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -94.53 90.23 6.11 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.604 0.716 . . . . 0.0 110.561 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -96.94 110.21 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.129 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.19 31.87 10.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.964 0.888 . . . . 0.0 109.163 -174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.46 -20.72 25.47 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.333 -0.849 . . . . 0.0 113.29 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.34 141.93 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.463 0.649 . . . . 0.0 110.198 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -76.62 111.12 11.78 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.55 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.624 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.9 p -106.37 136.5 40.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.696 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.0 p -121.62 122.45 39.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.187 0.518 . . . . 0.0 111.138 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.582 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.42 165.3 15.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.943 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -84.7 126.66 33.58 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.973 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HD3' HG23 ' A' ' 30' ' ' VAL . 7.1 tpt180 -83.76 130.11 34.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.983 -174.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.93 100.83 7.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.788 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.601 -177.667 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t -107.19 -45.56 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.962 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.405 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 79.8 mm-40 -92.33 117.55 30.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.288 -178.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.48 -8.85 47.97 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.563 -0.744 . . . . 0.0 114.811 -169.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.461 ' NH1' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -74.65 -4.95 40.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.968 0.884 . . . . 0.0 110.523 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.461 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 58.8 t-105 -82.39 -13.11 57.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.286 0.565 . . . . 0.0 109.797 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.48 22.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.634 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 5' ' ' ARG . 15.6 m -55.07 -23.23 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.905 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.0 -25.51 65.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.389 . . . . 0.0 111.312 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.66 -20.47 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.6 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -82.0 -49.76 9.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -77.76 1.77 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.32 -33.5 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HZ3' ' HB3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -65.3 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 176.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.11 -29.74 61.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 109.549 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.03 2.71 45.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.115 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.17 11.85 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.027 0.441 . . . . 0.0 111.046 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 12.38 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.137 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.14 -27.39 69.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.62 -24.75 64.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.329 . . . . 0.0 111.089 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.75 -4.82 53.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.268 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -59.81 -19.86 53.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.843 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.04 -33.45 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.898 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -155.41 -52.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.33 33.37 2.03 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.042 -174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 23.6 t80 -121.66 27.66 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.637 0.732 . . . . 0.0 109.245 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.88 61.74 1.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.335 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -75.04 -29.26 60.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.041 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -59.62 116.14 3.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.539 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 4.0 t -89.11 97.42 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.9 p -119.66 143.05 47.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.584 -169.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.35 152.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.538 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 10.5 m-85 -82.63 96.45 8.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.352 0.596 . . . . 0.0 110.616 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HB2' HG21 ' A' ' 39' ' ' VAL . 63.1 mtp180 -97.79 93.27 6.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.819 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.81 57.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.105 -174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.68 -18.24 4.91 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.752 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 17.1 t -97.84 135.46 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 0.0 110.556 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -82.18 103.95 12.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.2 t -103.24 118.87 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.311 -172.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -102.41 134.19 46.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.465 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -91.53 166.31 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -177.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -66.72 132.97 49.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.137 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 156.13 16.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.022 0.439 . . . . 0.0 110.91 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -154.18 87.95 1.21 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.351 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.208 179.041 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.538 0.208 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.94 84.28 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.549 0.69 . . . . 0.0 110.514 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -103.19 -177.28 3.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.364 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.52 91.81 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.166 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -5.8 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.427 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -96.0 -36.02 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.23 0.538 . . . . 0.0 109.695 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -85.48 16.64 3.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.866 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.42 -17.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -63.81 -31.33 72.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.35 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -67.2 -44.89 78.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -66.74 -34.74 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.603 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.89 -36.53 84.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.343 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.16 -44.66 75.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.91 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.12 -28.53 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.3 45.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.446 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.71 10.7 34.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.477 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.1 75.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.619 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -56.17 -41.44 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.047 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.6 -51.86 31.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.988 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . . . -72.87 -17.33 61.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.811 -174.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.72 0.295 . . . . 0.0 110.72 177.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.84 85.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.454 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -68.54 -60.58 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.358 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.16 27.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.837 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.428 ' CD2' ' HB3' ' A' ' 21' ' ' ALA . 33.5 m-85 -107.26 25.38 11.48 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.22 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.52 65.09 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.73 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.8 m95 -81.71 56.93 3.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.228 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -110.29 134.23 52.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.209 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -88.04 99.28 8.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.17 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.786 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.6 p -92.5 121.13 33.66 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.251 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 39' ' ' VAL . 6.6 m -132.4 156.31 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.23 90.01 7.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.536 0.684 . . . . 0.0 109.736 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -96.7 101.58 13.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.287 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 62.39 42.36 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.845 0.831 . . . . 0.0 109.853 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.85 -17.7 20.07 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.847 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.2 130.62 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.188 0.518 . . . . 0.0 110.214 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -84.38 100.72 11.47 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.515 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.786 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.0 m -88.55 142.18 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.731 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.485 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 19.5 m -133.15 111.63 11.07 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.1 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -116.93 138.91 51.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.229 0.537 . . . . 0.0 111.267 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -63.05 129.93 42.48 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.83 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.67 138.84 58.03 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.02 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.71 85.83 2.81 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.054 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.244 0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.069 -179.202 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 7' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.58 -45.81 70.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.364 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -101.42 -18.86 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 0.0 110.03 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 47.2 tptt -60.31 -26.49 66.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 110.839 -177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 29.9 m -63.49 -20.87 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.193 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -75.24 -29.88 60.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 -31.85 33.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.228 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t -63.99 -48.47 76.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.195 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 48.0 m-85 -75.93 6.17 5.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.053 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -68.21 -26.88 65.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.641 0.734 . . . . 0.0 109.429 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -80.54 -35.86 33.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.8 178.201 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 18.1 t . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.2 p -96.4 120.83 37.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.994 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.56 162.04 35.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.927 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -93.33 88.22 5.91 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.635 0.731 . . . . 0.0 109.891 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -86.39 111.5 20.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.522 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 45.94 38.91 4.97 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.148 0.905 . . . . 0.0 112.063 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.13 -20.45 48.8 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.382 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.15 132.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 117.122 0.461 . . . . 0.0 110.648 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -75.95 102.81 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.31 0.576 . . . . 0.0 110.048 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.6 p -106.85 141.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.889 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.6 p -130.67 135.89 48.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.088 0.47 . . . . 0.0 111.475 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.261 176.628 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 10.1 ptp85 -50.65 -49.78 56.21 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.734 0.413 . . . . 0.0 111.909 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 66.5 t-105 -98.51 -15.96 19.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 0.0 110.241 -176.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.12 -12.27 49.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.483 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.22 -29.73 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.039 0.447 . . . . 0.0 110.845 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -70.28 -33.09 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.79 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -18.09 28.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.671 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -61.81 -26.43 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.535 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.88 -12.25 34.96 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -84.15 -43.89 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.649 0.261 . . . . 0.0 110.66 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -78.4 -32.2 48.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.657 0.265 . . . . 0.0 110.468 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 109.729 175.223 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 8.0 p -118.21 127.03 53.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.445 0.641 . . . . 0.0 111.968 -174.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 m -131.04 173.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.928 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -102.76 90.02 3.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.669 0.747 . . . . 0.0 110.582 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -96.24 118.46 32.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.324 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m120 63.54 21.75 12.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.317 0.579 . . . . 0.0 109.578 -172.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.22 -5.7 82.18 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.184 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.4 t -99.59 134.96 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.075 0.464 . . . . 0.0 110.317 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 38' ' ' ARG . 15.7 ttp180 -69.98 106.91 3.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.0 p -108.98 131.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.956 -177.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 10.1 p -123.87 139.09 54.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.756 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 p80 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.469 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.39 -32.82 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.014 0.435 . . . . 0.0 110.391 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -85.99 -31.77 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.95 -33.12 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.788 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 4' ' ' GLY . 87.9 t -56.2 -52.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 0.0 109.845 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -61.62 -37.51 84.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.473 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.731 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -83.7 -10.7 57.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.596 0.713 . . . . 0.0 109.425 176.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -110.37 19.74 18.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.89 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -52.71 -34.09 50.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.274 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -76.06 -35.87 59.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 176.129 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -101.69 131.33 48.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.37 150.96 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.659 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -91.7 88.78 6.83 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HB2' HG21 ' A' ' 39' ' ' VAL . 72.5 mtp180 -91.86 120.36 32.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.404 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 46.73 33.7 2.23 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.141 0.901 . . . . 0.0 112.134 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.97 -12.07 65.78 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.399 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -99.4 137.67 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.453 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -79.65 92.9 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.899 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.2 t -87.78 129.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.012 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.64 134.59 49.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.27 0.557 . . . . 0.0 112.059 -174.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.719 171.604 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.46 0 CA-C-O 120.8 0.111 . . . . 0.0 113.127 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -68.06 -29.77 68.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.437 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 66.5 t-105 -92.87 -24.2 18.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 110.978 -172.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -1.08 28.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.924 0.393 . . . . 0.0 111.095 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.63 -23.86 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.604 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 18.0 ptt180 -61.02 -26.92 67.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.09 40.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.78 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -99.55 9.91 42.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.93 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 9' ' ' ARG . 24.0 m-85 -111.44 -7.24 14.36 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -80.81 -5.3 57.05 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.024 -172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -90.13 -25.55 20.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.276 174.707 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.7 t . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 4.3 p -90.99 121.14 32.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.671 -175.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 39' ' ' VAL . 20.5 m -128.76 -179.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -115.06 109.61 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.355 -173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 28.4 ptt180 -107.75 114.62 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.376 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t30 56.65 38.94 29.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.743 0.782 . . . . 0.0 110.305 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.6 -13.31 36.01 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.025 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -98.86 134.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.008 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -73.35 129.83 38.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.312 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 p -126.94 136.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.674 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 17.5 m -125.39 135.9 52.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.012 0.434 . . . . 0.0 110.886 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 CA--C 1.511 -0.529 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.364 176.857 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.511 0 CA-C-O 120.278 -0.179 . . . . 0.0 112.774 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -8.06 52.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.1 -36.92 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 109.987 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.31 -23.86 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.6 -35.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.564 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -71.33 -46.49 60.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.166 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' O ' ' HD1' ' A' ' 13' ' ' PHE . . . -77.65 1.81 18.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.042 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -54.67 -22.0 12.4 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -83.65 14.16 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.614 0.245 . . . . 0.0 110.995 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 54.9 p90 -58.05 -31.61 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -86.84 -18.95 29.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 110.007 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.503 0.668 . . . . 0.0 109.234 175.665 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.0 t . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -107.72 124.79 50.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.493 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.33 153.64 20.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.864 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -83.47 92.56 7.61 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.579 0.704 . . . . 0.0 110.017 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -100.85 103.21 14.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.665 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 69.07 40.13 1.64 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.842 0.83 . . . . 0.0 109.524 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.67 18.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.526 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.7 140.95 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.141 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -80.22 96.88 6.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.659 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.8 p -86.11 132.27 32.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.079 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.6 p -127.02 138.24 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.817 0.341 . . . . 0.0 111.077 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 175.293 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.849 -0.1 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -3.29 17.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -96.84 -51.22 4.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.907 0.384 . . . . 0.0 109.979 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -70.35 -25.85 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 9.8 p -62.81 -20.54 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -74.02 -15.5 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.41 -48.8 5.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.026 0.441 . . . . 0.0 110.629 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -64.31 -38.62 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.315 0.579 . . . . 0.0 110.305 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 45.9 m-85 -104.7 22.23 15.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.255 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -49.9 -33.73 18.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 111.739 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.4 -36.1 79.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.582 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.083 -178.827 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.4 p -119.02 132.32 56.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.607 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.89 172.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.984 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -96.13 96.37 8.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.631 0.729 . . . . 0.0 110.572 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 39' ' ' VAL . 69.7 ttt180 -91.23 108.61 19.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.362 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.27 41.25 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.757 0.823 . . . . 0.0 111.963 -177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.73 -20.02 51.67 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.159 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -100.79 132.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 38' ' ' ARG . 21.1 ttt180 -73.6 106.31 5.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.93 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -106.96 136.83 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.378 -174.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 25.0 p -126.7 139.98 52.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 0.0 111.045 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.613 171.43 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 6.6 ppt_? -70.54 13.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -97.94 -49.08 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -89.4 -35.44 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.93 -8.88 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.719 . . . . 0.0 109.705 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 47.5 ttp180 -57.84 -40.3 79.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.745 177.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.57 -22.6 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -72.24 -21.13 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.947 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.93 -16.6 62.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.268 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -67.67 -27.01 66.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.549 . . . . 0.0 109.888 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.82 -35.81 57.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.892 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.58 178.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.8 p -100.49 130.42 46.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.369 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.15 152.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.654 176.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -88.13 87.75 7.42 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.964 0.887 . . . . 0.0 109.806 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.575 ' HB3' HG21 ' A' ' 39' ' ' VAL . 63.0 ttt180 -103.32 115.2 30.1 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.904 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 34' ' ' ARG . 10.5 m120 67.07 21.79 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.616 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.23 -1.71 88.24 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.8 136.74 28.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -78.15 89.47 4.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.411 0.624 . . . . 0.0 109.77 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.1 t -87.8 116.98 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.509 -175.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 20.5 m -104.51 116.89 32.88 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.633 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.387 -177.173 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' NH1' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.6 -5.43 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 111.092 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.34 -38.05 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 110.028 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -63.59 -23.26 67.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.6 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.87 -51.72 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.303 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HD2' ' NH1' ' A' ' 5' ' ' ARG . 13.9 ptm180 -66.45 -29.91 70.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.56 67.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -71.79 -40.66 69.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.722 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -69.95 -48.67 57.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.95 -30.13 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -60.89 -40.81 94.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.844 0.354 . . . . 0.0 110.325 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.567 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.2 t . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -101.82 121.03 41.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.9 -175.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -141.22 153.12 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.996 176.3 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -86.92 89.49 8.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.404 0.621 . . . . 0.0 111.022 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' HG11 ' A' ' 39' ' ' VAL . 77.7 mtp180 -94.55 123.95 38.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 65.52 19.05 11.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.938 0.495 . . . . 0.0 109.993 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.65 -9.69 76.41 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.851 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.32 134.59 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.383 0.592 . . . . 0.0 110.677 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -72.1 92.64 1.34 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.209 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -87.52 141.94 13.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.485 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 21.8 m -131.3 137.99 49.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -176.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.935 173.551 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.217 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.53 -34.99 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.603 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -80.44 -27.74 37.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.689 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 51.6 tttm -64.81 -19.58 65.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.02 -38.37 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.51 0.671 . . . . 0.0 109.506 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -81.14 -24.51 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.641 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -86.32 0.07 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.401 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -112.7 -40.18 4.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 0.0 110.055 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -86.92 17.19 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -61.32 -27.83 68.77 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.272 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.325 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.018 179.218 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -104.87 133.05 50.33 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.263 -172.116 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.29 161.67 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.31 109.25 22.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.645 0.736 . . . . 0.0 110.996 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -112.51 115.35 28.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.045 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 62.94 31.5 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.827 0.822 . . . . 0.0 109.716 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.65 -9.58 58.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.631 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.71 136.59 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.17 0.51 . . . . 0.0 110.434 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -85.19 100.62 11.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.009 -176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.722 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.2 m -87.75 142.68 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.712 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -133.37 124.97 28.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.892 0.377 . . . . 0.0 111.116 -175.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 175.276 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -48.8 -37.16 18.41 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.151 0.58 . . . . 0.0 112.527 -174.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.441 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 14.9 t-105 -85.25 -38.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 0.0 110.094 -176.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -68.9 -38.01 79.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.024 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.06 -33.29 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -85.15 -6.64 59.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 110.319 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.18 -36.03 15.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.181 0.515 . . . . 0.0 109.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.191 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.31 18.92 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.74 -20.66 65.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.335 0.588 . . . . 0.0 111.068 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -64.14 -39.9 95.02 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.571 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.42 178.637 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.6 p -106.59 121.13 43.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.804 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.55 168.13 22.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.952 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.12 89.34 5.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.412 0.625 . . . . 0.0 110.13 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' OD1' ' A' ' 35' ' ' ASN . 51.6 ttp180 -95.42 117.92 31.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.638 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.479 ' OD1' ' HG2' ' A' ' 34' ' ' ARG . 5.4 m120 62.96 19.19 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.999 0.52 . . . . 0.0 110.14 -175.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.62 55.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.951 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 34' ' ' ARG . 14.4 p -99.87 141.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 117.689 0.745 . . . . 0.0 110.82 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -72.68 104.31 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.083 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.1 p -106.6 128.0 61.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.535 -175.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.5 p -115.87 120.05 37.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.05 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.0 p80 . . . . . 0 C--N 1.318 -0.787 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.564 -177.166 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 119.978 -0.345 . . . . 0.0 113.033 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -46.81 -59.58 2.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.192 0.52 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -83.68 -16.38 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.886 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.66 -44.58 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 31.1 m -72.89 -9.11 12.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -101.64 2.93 39.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.059 0.457 . . . . 0.0 110.262 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.49 -61.43 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -94.01 -33.26 13.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.0 110.916 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 8' ' ' VAL . 84.8 m-85 -102.21 19.78 18.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.25 -31.58 53.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.832 0.349 . . . . 0.0 111.421 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.69 -31.51 72.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.341 0.591 . . . . 0.0 110.091 178.712 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 6.6 t . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.8 p -98.13 120.75 39.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 111.775 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.94 171.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.135 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -104.05 101.86 11.62 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.811 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' VAL . 97.2 mtt180 -102.21 121.39 42.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.732 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 44.95 35.31 1.48 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.802 0.841 . . . . 0.0 112.534 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -21.05 41.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.0 114.036 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' ARG . 11.8 p -99.54 139.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.667 0.734 . . . . 0.0 111.234 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.35 93.59 5.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.499 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.5 p -91.17 141.58 14.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.171 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 13.3 p -135.72 133.7 38.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.643 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 CA--C 1.507 -0.674 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.603 171.878 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 113.818 0.287 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -61.96 -31.26 71.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.192 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -102.51 -6.27 23.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.061 0.458 . . . . 0.0 110.379 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.46 -15.98 63.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 0.0 110.271 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.3 -21.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -88.98 -14.34 36.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.009 0.433 . . . . 0.0 110.479 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.29 -15.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -65.28 -30.75 71.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -63.45 -39.92 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -68.46 -30.17 68.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.21 0.529 . . . . 0.0 110.37 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.27 -44.37 62.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.915 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.003 176.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 3.7 t . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.704 ' SG ' ' HG2' ' A' ' 38' ' ' ARG . 1.7 t -111.82 130.06 55.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.532 0.682 . . . . 0.0 110.365 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -144.64 165.95 12.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.267 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -91.87 89.22 6.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.667 0.746 . . . . 0.0 110.137 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -92.29 114.17 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.161 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t30 65.57 19.72 11.53 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 122.002 0.906 . . . . 0.0 109.689 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.55 -19.72 49.39 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.795 -0.716 . . . . 0.0 113.135 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.1 141.34 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.704 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 47.1 ttp180 -79.12 97.25 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.387 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -103.33 138.53 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.683 -173.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -115.93 141.65 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.899 0.38 . . . . 0.0 110.785 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 p80 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 178.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.2 ptt180 -57.45 -41.61 80.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 68.1 p-90 -88.08 -27.92 21.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.08 0.467 . . . . 0.0 110.076 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -68.5 -42.0 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.6 -29.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.641 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.7 mmm180 -72.19 -35.28 68.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.173 0.511 . . . . 0.0 109.94 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.99 -0.09 56.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.321 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -100.97 -48.81 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -93.39 17.75 10.85 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -63.65 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.46 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.84 -34.29 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.301 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.143 178.151 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.748 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.2 p -112.41 133.56 54.43 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 34' ' ' ARG . 34.6 m -136.68 165.3 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 m-85 -105.07 88.51 2.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.317 0.58 . . . . 0.0 110.907 -173.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 32' ' ' VAL . 34.3 mtp180 -89.74 110.12 21.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.975 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 67.55 31.51 6.14 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 122.066 0.936 . . . . 0.0 109.639 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 4.39 71.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.632 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 23.7 t -98.5 134.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -81.35 89.95 6.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.604 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.748 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 1.3 m -87.18 142.02 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 28.4 m -129.9 139.54 51.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.499 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 7.3 ptp85 -73.52 -46.05 50.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.315 0.557 . . . . 0.0 110.8 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 72.5 t-105 -111.95 -41.68 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.951 -175.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -78.13 0.24 25.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -166.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.58 -19.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.166 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -61.22 -34.94 75.93 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.235 0.541 . . . . 0.0 110.362 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 -22.51 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -64.43 -23.15 67.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -61.57 -16.38 47.46 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.697 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -80.87 -52.61 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.574 0.226 . . . . 0.0 111.419 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -73.75 -32.0 63.62 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.416 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 8.1 t . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 5.3 p -104.11 124.74 49.63 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.504 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 -179.2 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.989 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -112.82 95.48 5.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.09 0.471 . . . . 0.0 111.086 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -95.91 128.45 42.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.367 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p30 50.27 20.99 0.72 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.255 1.022 . . . . 0.0 112.261 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.62 -11.92 57.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.919 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.04 137.54 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 110.3 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -76.04 109.98 10.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.698 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.9 p -113.25 135.35 53.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.281 -174.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.0 p -122.71 145.1 48.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.128 0.49 . . . . 0.0 111.271 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.066 175.46 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.192 0 N-CA-C 112.99 -0.044 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -25.37 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.584 0.231 . . . . 0.0 111.199 -177.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -81.59 -37.48 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.33 -28.77 69.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 31.4 m -104.11 6.79 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 78.7 ttt180 -67.97 -50.16 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.568 -173.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.75 23.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.21 -178.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 5.4 p -85.19 -53.28 5.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -177.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -107.87 -46.31 3.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.65 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 74.9 t80 -56.98 -32.48 66.12 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -59.11 -42.21 90.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.141 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.194 178.757 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 21.2 p -100.49 128.45 46.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.291 0.567 . . . . 0.0 112.006 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -138.95 153.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.771 176.569 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -90.5 92.76 9.01 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.166 0.508 . . . . 0.0 111.186 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -96.66 114.78 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.282 175.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 t30 63.97 35.34 10.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.897 0.856 . . . . 0.0 109.304 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.48 -9.01 52.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.105 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 135.39 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.97 0.414 . . . . 0.0 110.201 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -78.43 89.74 4.42 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 110.044 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -82.93 136.27 23.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.726 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.87 133.18 44.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.045 0.45 . . . . 0.0 111.822 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.079 174.386 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HD3' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -60.7 -23.02 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.997 0.427 . . . . 0.0 111.297 178.056 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.526 ' N ' ' HD3' ' A' ' 5' ' ' ARG . 65.0 t-105 -90.54 -36.61 14.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -61.14 -44.78 96.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.496 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 4' ' ' GLY . 57.7 t -59.48 -38.29 74.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.617 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -72.28 -48.54 41.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.456 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.8 81.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.655 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -62.18 -51.04 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.337 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.28 -26.39 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.77 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.58 -26.91 65.8 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.38 -44.85 90.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.89 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.052 179.634 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 16.3 t . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.0 p -103.84 125.18 50.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.523 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 m -135.66 163.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.01 89.17 7.31 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.468 0.652 . . . . 0.0 109.414 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -103.2 118.5 36.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.6 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 65.19 20.58 11.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.528 0.68 . . . . 0.0 109.799 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.94 -18.83 56.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.721 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.28 137.95 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.462 0.649 . . . . 0.0 110.686 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.34 101.89 2.03 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -98.88 136.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.967 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 11.4 p -126.33 141.6 51.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.991 0.424 . . . . 0.0 111.402 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.856 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 120.625 0.014 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 5' ' ' ARG . 18.6 ptt85 -80.76 -37.47 30.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 176.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -110.42 -23.53 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.78 -20.05 66.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -32.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.607 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -50.01 74.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.314 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 13' ' ' PHE . . . -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -66.64 -51.51 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.008 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -62.33 -29.6 70.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.644 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 67.5 t80 -58.65 -29.04 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.222 0.534 . . . . 0.0 109.93 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.393 -178.852 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.2 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 16.5 p -112.01 137.68 49.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.631 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.64 159.41 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -89.51 91.15 8.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.534 0.683 . . . . 0.0 109.584 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -97.55 98.72 10.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.648 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 62.09 42.83 9.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.807 0.813 . . . . 0.0 109.769 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.14 -18.4 22.73 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.867 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -97.25 127.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.474 0.654 . . . . 0.0 110.193 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -82.73 98.83 9.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.14 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.747 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.7 m -92.3 138.33 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.572 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.7 p -126.79 128.47 46.63 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.974 0.416 . . . . 0.0 110.483 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.065 -179.133 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.411 0 N-CA-C 112.896 -0.082 . . . . 0.0 112.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -61.02 -20.76 62.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.174 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -84.85 -28.62 25.92 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.561 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.59 -29.78 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 5' ' ' ARG . 7.2 p -67.24 -16.43 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.989 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 75.2 ttt180 -65.48 -28.68 69.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -22.72 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.632 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -72.33 -22.64 61.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.106 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 9' ' ' ARG . 37.9 m-85 -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.302 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.04 -29.93 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.18 -35.98 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.336 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 . . . . . 0 C--N 1.329 -0.326 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.793 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 2.6 p -106.8 127.83 53.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.445 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.4 166.08 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -94.53 90.23 6.11 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.604 0.716 . . . . 0.0 110.561 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -96.94 110.21 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.129 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.19 31.87 10.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.964 0.888 . . . . 0.0 109.163 -174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.46 -20.72 25.47 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.333 -0.849 . . . . 0.0 113.29 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.34 141.93 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.463 0.649 . . . . 0.0 110.198 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -76.62 111.12 11.78 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.55 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.9 p -106.37 136.5 40.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.696 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.0 p -121.62 122.45 39.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.187 0.518 . . . . 0.0 111.138 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.943 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.414 0 N-CA-C 114.811 0.685 . . . . 0.0 114.811 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.471 ' NH1' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -74.65 -4.95 40.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.968 0.884 . . . . 0.0 110.523 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.471 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 58.8 t-105 -82.39 -13.11 57.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.286 0.565 . . . . 0.0 109.797 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.48 22.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.634 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' ARG . 15.6 m -55.07 -23.23 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.905 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.0 -25.51 65.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.389 . . . . 0.0 111.312 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.66 -20.47 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.6 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -82.0 -49.76 9.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -77.76 1.77 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.32 -33.5 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 109.549 -179.257 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 41' ' ' HIS . 4.0 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.9 p -119.66 143.05 47.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.584 -169.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.35 152.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.538 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 10.5 m-85 -82.63 96.45 8.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.352 0.596 . . . . 0.0 110.616 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.536 ' HB2' HG21 ' A' ' 39' ' ' VAL . 63.1 mtp180 -97.79 93.27 6.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.819 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.81 57.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.105 -174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.68 -18.24 4.91 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.752 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 17.1 t -97.84 135.46 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 0.0 110.556 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -82.18 103.95 12.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.2 t -103.24 118.87 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.311 -172.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -102.41 134.19 46.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -177.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -5.8 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.427 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -96.0 -36.02 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.23 0.538 . . . . 0.0 109.695 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -85.48 16.64 3.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.866 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.42 -17.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -63.81 -31.33 72.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.35 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -67.2 -44.89 78.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -66.74 -34.74 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.603 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.89 -36.53 84.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.343 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.16 -44.66 75.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.91 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 178.105 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.801 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.6 p -92.5 121.13 33.66 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.251 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 39' ' ' VAL . 6.6 m -132.4 156.31 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.23 90.01 7.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.536 0.684 . . . . 0.0 109.736 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -96.7 101.58 13.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.287 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 62.39 42.36 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.845 0.831 . . . . 0.0 109.853 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.85 -17.7 20.07 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.847 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.2 130.62 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.188 0.518 . . . . 0.0 110.214 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -84.38 100.72 11.47 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.515 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.801 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.0 m -88.55 142.18 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.731 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 19.5 m -133.15 111.63 11.07 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.1 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 121.229 0.537 . . . . 0.0 111.267 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.07 136.1 33.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.086 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 7' ' ' LYS . . . -103.21 -4.43 47.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.58 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.58 -45.81 70.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.364 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -101.42 -18.86 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 0.0 110.03 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 47.2 tptt -60.31 -26.49 66.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 110.839 -177.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 29.9 m -63.49 -20.87 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.193 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -75.24 -29.88 60.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 -31.85 33.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.228 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t -63.99 -48.47 76.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.195 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 48.0 m-85 -75.93 6.17 5.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.053 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -68.21 -26.88 65.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.641 0.734 . . . . 0.0 109.429 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -80.54 -35.86 33.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.89 -1.68 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.8 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 6.91 11.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.429 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.83 -13.6 57.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.472 0.653 . . . . 0.0 109.637 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.54 17.39 10.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.464 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 13.24 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.94 -41.14 61.82 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.171 0.441 . . . . 0.0 112.081 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.23 -25.45 29.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 110.462 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -84.51 11.12 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.228 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.19 52.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -164.92 110.57 0.95 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.617 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.69 45.9 5.91 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.972 -0.632 . . . . 0.0 114.255 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 67.9 t80 -119.32 -70.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.284 0.542 . . . . 0.0 109.968 172.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.59 50.54 1.81 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.759 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -113.01 25.42 11.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.691 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.86 126.35 41.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 18.1 t -87.69 97.39 6.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.2 p -96.4 120.83 37.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.994 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.56 162.04 35.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.927 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -93.33 88.22 5.91 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.635 0.731 . . . . 0.0 109.891 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -86.39 111.5 20.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.522 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 45.94 38.91 4.97 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.148 0.905 . . . . 0.0 112.063 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.13 -20.45 48.8 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.382 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.15 132.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 117.122 0.461 . . . . 0.0 110.648 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -75.95 102.81 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.31 0.576 . . . . 0.0 110.048 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.6 p -106.85 141.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.889 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.6 p -130.67 135.89 48.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.088 0.47 . . . . 0.0 111.475 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -133.46 152.89 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.261 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.77 131.33 35.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.924 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.89 149.89 49.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.999 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.29 81.32 3.06 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.492 -177.234 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.02 -173.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.367 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 5.8 tp60 -75.87 132.19 40.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 0.0 110.568 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.15 27.0 22.31 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.7 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 10.1 ptp85 -50.65 -49.78 56.21 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.734 0.413 . . . . 0.0 111.909 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 66.5 t-105 -98.51 -15.96 19.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 0.0 110.241 -176.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.12 -12.27 49.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.483 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.22 -29.73 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.039 0.447 . . . . 0.0 110.845 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -70.28 -33.09 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.79 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -18.09 28.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.671 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -61.81 -26.43 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.535 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.88 -12.25 34.96 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -84.15 -43.89 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.649 0.261 . . . . 0.0 110.66 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -78.4 -32.2 48.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.657 0.265 . . . . 0.0 110.468 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.13 -20.24 63.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 109.729 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.82 -5.85 52.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.674 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.53 -11.35 58.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.404 0.621 . . . . 0.0 109.601 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.17 13.01 20.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.613 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.59 7.35 5.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.467 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -17.65 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 0.71 49.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.312 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.33 66.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.651 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.24 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.911 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -83.69 -9.39 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.37 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.45 38.45 1.33 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.898 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -108.7 21.37 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.4 170.63 19.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -87.64 -17.9 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.069 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -56.18 134.69 53.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.533 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t -88.44 97.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 8.0 p -118.21 127.03 53.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.445 0.641 . . . . 0.0 111.968 -174.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 m -131.04 173.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.928 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -102.76 90.02 3.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.669 0.747 . . . . 0.0 110.582 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -96.24 118.46 32.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.324 -177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 m120 63.54 21.75 12.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.317 0.579 . . . . 0.0 109.578 -172.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.22 -5.7 82.18 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.184 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.4 t -99.59 134.96 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.075 0.464 . . . . 0.0 110.317 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 38' ' ' ARG . 15.7 ttp180 -69.98 106.91 3.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.0 p -108.98 131.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.956 -177.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 10.1 p -123.87 139.09 54.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.756 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -131.27 167.47 19.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.469 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -60.68 150.79 31.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.739 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 169.5 18.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.245 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.91 40.42 0.73 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.495 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.124 -177.61 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.62 -33.73 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.441 -170.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 6' ' ' TRP . 6.5 tp-100 -78.5 108.01 11.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -74.81 -35.85 49.4 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.368 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.39 -32.82 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.014 0.435 . . . . 0.0 110.391 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.486 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 3.4 t90 -85.99 -31.77 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.95 -33.12 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.788 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 4' ' ' GLY . 87.9 t -56.2 -52.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 0.0 109.845 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -61.62 -37.51 84.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.473 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.731 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -83.7 -10.7 57.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.596 0.713 . . . . 0.0 109.425 176.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -110.37 19.74 18.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.89 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -52.71 -34.09 50.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.274 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -76.06 -35.87 59.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.08 -50.29 42.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.88 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.49 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -41.86 84.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.34 -23.24 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.727 0.299 . . . . 0.0 111.707 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 8.9 mtpm? -97.28 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.0 111.658 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.14 -51.95 9.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.458 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 26' ' ' PHE . . . -65.14 -56.63 11.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.546 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.06 -20.64 26.01 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -50.26 10.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 11.7 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -171.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -174.41 66.1 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.879 -1.153 . . . . 0.0 112.595 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 31.3 p90 -94.79 7.3 46.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.512 0.196 . . . . 0.0 111.259 -176.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.61 121.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.238 0.961 . . . . 0.0 110.458 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -75.26 53.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.756 0.789 . . . . 0.0 110.96 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 82.6 m-20 -111.72 150.37 30.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.86 99.79 9.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -101.69 131.33 48.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.37 150.96 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.659 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -91.7 88.78 6.83 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HB2' HG21 ' A' ' 39' ' ' VAL . 72.5 mtp180 -91.86 120.36 32.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.404 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 46.73 33.7 2.23 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.141 0.901 . . . . 0.0 112.134 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.97 -12.07 65.78 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.399 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -99.4 137.67 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.453 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -79.65 92.9 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.899 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.2 t -87.78 129.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.012 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 22.1 p -127.64 134.59 49.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.27 0.557 . . . . 0.0 112.059 -174.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -131.1 145.59 52.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.719 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.44 130.2 41.29 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.958 -170.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.23 150.24 49.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.923 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 50.12 1.95 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.658 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.334 -179.698 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 t -81.9 73.23 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.365 0.602 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.494 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 2.5 tp60 -120.95 -168.18 1.61 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.601 -176.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.494 ' H ' ' HG3' ' A' ' 3' ' ' GLN . . . -54.09 -28.93 42.9 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.127 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -68.06 -29.77 68.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.437 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 66.5 t-105 -92.87 -24.2 18.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 110.978 -172.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -1.08 28.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.924 0.393 . . . . 0.0 111.095 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.63 -23.86 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.604 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 18.0 ptt180 -61.02 -26.92 67.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 176.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.09 40.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.78 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -99.55 9.91 42.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.93 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 9' ' ' ARG . 24.0 m-85 -111.44 -7.24 14.36 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -80.81 -5.3 57.05 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.024 -172.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -90.13 -25.55 20.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -80.88 -28.52 35.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.276 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.32 10.07 33.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.34 -4.37 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.156 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.95 -5.23 29.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -78.06 8.36 4.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.02 -23.84 65.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.03 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.761 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -74.47 -8.35 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.674 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.16 -30.72 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -94.69 -33.34 12.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.406 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.79 85.12 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.34 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 75.8 t80 -120.62 -32.89 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.658 . . . . 0.0 109.572 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.58 68.84 1.48 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.126 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -61.22 105.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 18.7 p-10 -80.55 110.99 16.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.648 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.7 t -88.53 98.43 7.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 4.3 p -90.99 121.14 32.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.671 -175.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 39' ' ' VAL . 20.5 m -128.76 -179.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -115.06 109.61 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.355 -173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 28.4 ptt180 -107.75 114.62 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.376 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t30 56.65 38.94 29.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.743 0.782 . . . . 0.0 110.305 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.6 -13.31 36.01 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.025 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -98.86 134.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.008 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -73.35 129.83 38.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.312 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 p -126.94 136.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.674 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 29' ' ' ASN . 17.5 m -125.39 135.9 52.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.012 0.434 . . . . 0.0 110.886 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -131.72 157.38 43.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.364 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -86.24 145.48 26.94 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.395 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -72.47 142.73 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.06 0.457 . . . . 0.0 110.418 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.05 67.79 9.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.767 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.987 -179.121 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -115.48 124.81 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.129 0.49 . . . . 0.0 110.418 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.555 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 2.1 mp0 -99.41 108.52 21.03 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.41 -71.57 1.21 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.774 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -8.06 52.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . 79.1 t90 -60.1 -36.92 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 109.987 175.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.31 -23.86 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.6 -35.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.564 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -71.33 -46.49 60.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.166 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' O ' ' HD1' ' A' ' 13' ' ' PHE . . . -77.65 1.81 18.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.042 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -54.67 -22.0 12.4 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -83.65 14.16 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.614 0.245 . . . . 0.0 110.995 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 54.9 p90 -58.05 -31.61 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -86.84 -18.95 29.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 110.007 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.47 -15.85 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.503 0.668 . . . . 0.0 109.234 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 14.26 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.581 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.05 -15.62 63.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -0.71 3.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -72.83 0.3 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.317 0.579 . . . . 0.0 110.105 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.6 -7.1 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.564 . . . . 0.0 110.038 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.69 -3.63 12.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.854 174.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.8 -26.1 61.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.07 56.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.799 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -131.19 7.0 4.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 0.0 110.708 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.68 103.42 2.8 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.057 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -94.08 -5.92 46.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.266 0.555 . . . . 0.0 110.305 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 57.57 3.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.247 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -83.54 -3.42 57.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.771 0.796 . . . . 0.0 109.574 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.783 172.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.0 t -87.97 97.57 6.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -107.72 124.79 50.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.493 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.33 153.64 20.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.864 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -83.47 92.56 7.61 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.579 0.704 . . . . 0.0 110.017 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -100.85 103.21 14.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.665 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 69.07 40.13 1.64 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.842 0.83 . . . . 0.0 109.524 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.67 18.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.526 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.7 140.95 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.141 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -80.22 96.88 6.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.659 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.8 p -86.11 132.27 32.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.079 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.6 p -127.02 138.24 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.817 0.341 . . . . 0.0 111.077 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -141.16 153.01 45.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -72.94 142.79 47.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.106 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -76.42 167.55 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.18 82.57 5.33 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.226 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.599 -178.102 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.609 0.242 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 m -102.64 96.73 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.381 0.61 . . . . 0.0 111.348 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -98.37 -171.07 2.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -36.64 64.72 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.331 -0.461 . . . . 0.0 112.849 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -3.29 17.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -96.84 -51.22 4.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.907 0.384 . . . . 0.0 109.979 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -70.35 -25.85 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 9.8 p -62.81 -20.54 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -74.02 -15.5 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.41 -48.8 5.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.026 0.441 . . . . 0.0 110.629 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -64.31 -38.62 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.315 0.579 . . . . 0.0 110.305 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 45.9 m-85 -104.7 22.23 15.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.255 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -49.9 -33.73 18.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 111.739 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.4 -36.1 79.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.582 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.31 -29.22 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.083 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.03 -14.75 63.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -17.22 42.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.331 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.56 21.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.329 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -25.13 67.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 111.084 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.03 -31.93 73.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.33 14.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.427 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.41 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.567 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.14 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.579 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -117.57 11.92 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.026 0.441 . . . . 0.0 110.904 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 98.11 1.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.023 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -79.53 -33.12 42.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.41 74.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.717 0.636 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -74.35 -22.67 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.177 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -62.52 148.34 46.18 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t -87.86 97.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -174.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.4 p -119.02 132.32 56.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.607 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.89 172.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.984 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -96.13 96.37 8.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.631 0.729 . . . . 0.0 110.572 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 39' ' ' VAL . 69.7 ttt180 -91.23 108.61 19.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.362 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.27 41.25 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.757 0.823 . . . . 0.0 111.963 -177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.73 -20.02 51.67 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.159 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -100.79 132.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 38' ' ' ARG . 21.1 ttt180 -73.6 106.31 5.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.93 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -106.96 136.83 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.378 -174.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 25.0 p -126.7 139.98 52.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 0.0 111.045 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -120.56 162.85 18.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.613 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -62.74 130.04 43.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.707 -175.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -76.79 136.03 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.17 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.47 95.59 3.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.27 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -178.084 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.8 t 63.7 90.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 110.324 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -95.23 107.63 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.02 -24.69 6.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 6.6 ppt_? -70.54 13.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -97.94 -49.08 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -89.4 -35.44 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.93 -8.88 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.719 . . . . 0.0 109.705 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 47.5 ttp180 -57.84 -40.3 79.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.745 177.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.57 -22.6 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -72.24 -21.13 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.947 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.93 -16.6 62.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.268 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -67.67 -27.01 66.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.549 . . . . 0.0 109.888 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.82 -35.81 57.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.892 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.03 -23.08 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.58 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.77 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.86 174.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.94 2.37 55.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.512 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.06 13.09 33.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.569 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.69 1.87 13.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.124 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.41 -15.93 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.211 0.529 . . . . 0.0 110.132 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.84 -11.85 57.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.05 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.86 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.29 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.68 -12.32 60.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.275 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -85.47 -54.65 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.97 36.2 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.312 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -120.46 1.95 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.833 0.825 . . . . 0.0 110.02 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -148.07 109.66 4.42 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.052 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 t90 67.05 105.37 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.064 0.853 . . . . 0.0 111.273 -174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -88.35 143.88 26.74 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.449 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.84 98.0 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.8 p -100.49 130.42 46.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.369 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.15 152.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.654 176.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -88.13 87.75 7.42 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.964 0.887 . . . . 0.0 109.806 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' HB3' HG21 ' A' ' 39' ' ' VAL . 63.0 ttt180 -103.32 115.2 30.1 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.904 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 34' ' ' ARG . 10.5 m120 67.07 21.79 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.616 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.23 -1.71 88.24 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.8 136.74 28.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -78.15 89.47 4.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.411 0.624 . . . . 0.0 109.77 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.1 t -87.8 116.98 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.509 -175.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 20.5 m -104.51 116.89 32.88 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.633 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -121.93 168.06 12.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.387 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -61.63 156.46 19.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.655 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -82.55 120.94 26.15 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.336 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.78 38.5 0.68 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.349 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.186 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t 70.0 -69.16 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.251 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -113.46 118.79 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.074 0.464 . . . . 0.0 110.771 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.35 -13.51 76.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.09 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' NH1' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.6 -5.43 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 111.092 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.34 -38.05 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 110.028 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -63.59 -23.26 67.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.6 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.87 -51.72 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.303 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HD2' ' NH1' ' A' ' 5' ' ' ARG . 13.9 ptm180 -66.45 -29.91 70.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.56 67.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -71.79 -40.66 69.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.722 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -69.95 -48.67 57.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.95 -30.13 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -60.89 -40.81 94.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.844 0.354 . . . . 0.0 110.325 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -81.76 -34.81 30.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.3 81.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -74.63 -4.81 39.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.962 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.25 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.918 0.39 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -62.83 -28.89 70.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.305 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 8.9 pt-20 -63.57 -28.16 69.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.856 0.36 . . . . 0.0 110.765 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.41 59.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -58.0 -37.4 74.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.044 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.38 -15.47 63.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.737 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -101.9 53.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.112 0.482 . . . . 0.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 29.23 72.87 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.184 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 34.1 t80 -121.33 23.99 10.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.98 0.895 . . . . 0.0 109.265 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.62 52.91 2.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.893 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m-90 38.92 57.9 1.84 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.383 -1.28 . . . . 0.0 113.124 170.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 4.7 p30 -62.15 122.22 15.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.2 t -89.04 98.52 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -101.82 121.03 41.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.9 -175.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -141.22 153.12 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.996 176.3 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -86.92 89.49 8.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.404 0.621 . . . . 0.0 111.022 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' HG11 ' A' ' 39' ' ' VAL . 77.7 mtp180 -94.55 123.95 38.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 65.52 19.05 11.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.938 0.495 . . . . 0.0 109.993 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.65 -9.69 76.41 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.851 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.32 134.59 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.383 0.592 . . . . 0.0 110.677 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -72.1 92.64 1.34 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.209 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -87.52 141.94 13.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.485 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 21.8 m -131.3 137.99 49.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -176.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -134.48 156.79 47.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.935 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.626 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -96.64 137.2 36.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.702 -175.013 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.81 144.39 50.81 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.05 70.36 6.3 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.547 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.616 0.245 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m -66.91 131.68 32.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.063 0.458 . . . . 0.0 110.664 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.419 ' HG3' ' H ' ' A' ' 6' ' ' TRP . 28.2 pt20 -109.73 178.51 4.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.36 -48.36 86.52 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.471 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.53 -34.99 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.603 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.419 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 55.3 t-105 -80.44 -27.74 37.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.689 -177.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 51.6 tttm -64.81 -19.58 65.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.02 -38.37 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.51 0.671 . . . . 0.0 109.506 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -81.14 -24.51 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.641 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -86.32 0.07 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.401 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -112.7 -40.18 4.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 0.0 110.055 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -86.92 17.19 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -61.32 -27.83 68.77 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.272 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.325 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -91.76 -44.88 8.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.018 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.9 -70.4 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.07 17.65 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.75 -22.31 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -66.71 -0.9 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -16.87 62.88 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.876 0.369 . . . . 0.0 110.991 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.04 86.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -73.08 -3.0 23.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.695 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.62 53.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.413 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -170.74 56.49 0.03 OUTLIER 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 89.62 1.37 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.383 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 46.0 p90 -96.82 14.97 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 109.954 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.73 67.32 1.09 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.65 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 5.7 m-90 -53.44 138.58 33.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.333 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 7.7 p30 -90.04 129.95 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.573 . . . . 0.0 111.268 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 t -100.75 99.24 8.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -104.87 133.05 50.33 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.263 -172.116 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.29 161.67 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.31 109.25 22.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.645 0.736 . . . . 0.0 110.996 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -112.51 115.35 28.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.045 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 62.94 31.5 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.827 0.822 . . . . 0.0 109.716 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.65 -9.58 58.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.631 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.71 136.59 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.17 0.51 . . . . 0.0 110.434 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -85.19 100.62 11.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.009 -176.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.722 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.2 m -87.75 142.68 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.712 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -133.37 124.97 28.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.892 0.377 . . . . 0.0 111.116 -175.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -117.55 161.62 19.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 175.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -76.36 118.57 19.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.796 -172.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 58.8 ttt180 -68.99 128.67 37.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.616 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.28 1.87 10.8 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.146 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -96.42 117.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.619 0.724 . . . . 0.0 111.553 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -127.14 162.58 25.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.326 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.97 27.9 6.4 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -48.8 -37.16 18.41 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.151 0.58 . . . . 0.0 112.527 -174.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 14.9 t-105 -85.25 -38.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 0.0 110.094 -176.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -68.9 -38.01 79.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.024 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.06 -33.29 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -85.15 -6.64 59.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 110.319 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.18 -36.03 15.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.181 0.515 . . . . 0.0 109.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.191 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.31 18.92 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HA ' ' HB3' ' A' ' 16' ' ' ALA . 67.4 t80 -63.74 -20.66 65.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.335 0.588 . . . . 0.0 111.068 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -64.14 -39.9 95.02 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.571 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.93 -21.38 22.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.42 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 13' ' ' PHE . . . -76.23 -6.95 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.151 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.74 -41.47 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.54 -12.28 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.166 0.508 . . . . 0.0 110.334 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.2 ttmm -101.52 10.3 40.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.781 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.39 -43.69 83.85 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.97 70.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.84 0.352 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.28 -40.58 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.092 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.52 71.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.781 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -94.0 8.97 39.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.048 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.17 75.95 1.3 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.867 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' C ' ' H ' ' A' ' 28' ' ' TRP . 51.7 t80 -92.95 -30.37 15.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.258 0.551 . . . . 0.0 109.861 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.16 22.1 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.849 0.833 . . . . 0.0 110.225 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.554 ' O ' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m95 -126.77 3.85 6.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.863 -178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -62.97 145.14 56.0 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t -88.42 98.78 8.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -176.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.6 p -106.59 121.13 43.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.804 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.55 168.13 22.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.952 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.12 89.34 5.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.412 0.625 . . . . 0.0 110.13 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' HG2' ' OD1' ' A' ' 35' ' ' ASN . 51.6 ttp180 -95.42 117.92 31.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.638 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.479 ' OD1' ' HG2' ' A' ' 34' ' ' ARG . 5.4 m120 62.96 19.19 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.999 0.52 . . . . 0.0 110.14 -175.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.62 55.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.951 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 34' ' ' ARG . 14.4 p -99.87 141.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 117.689 0.745 . . . . 0.0 110.82 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -72.68 104.31 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.083 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.1 p -106.6 128.0 61.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.535 -175.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.5 p -115.87 120.05 37.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.05 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -121.55 167.52 12.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.564 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -64.37 162.55 14.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.894 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 28' ' ' TRP . 72.8 mtm180 -100.66 159.1 15.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.592 -174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.01 24.02 13.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.087 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.344 -177.563 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.963 0.411 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m -91.01 168.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.783 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -83.12 108.97 16.77 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -96.07 12.97 66.59 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.033 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -46.81 -59.58 2.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.192 0.52 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -83.68 -16.38 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.886 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.66 -44.58 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 31.1 m -72.89 -9.11 12.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -101.64 2.93 39.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.059 0.457 . . . . 0.0 110.262 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.49 -61.43 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -94.01 -33.26 13.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.0 110.916 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 8' ' ' VAL . 84.8 m-85 -102.21 19.78 18.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.25 -31.58 53.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.832 0.349 . . . . 0.0 111.421 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.69 -31.51 72.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -90.93 -19.76 22.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.341 0.591 . . . . 0.0 110.091 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . . . -63.2 -11.81 23.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.819 -177.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.33 -30.79 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.91 6.04 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 17.7 tppt? -77.82 -7.39 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.596 0.712 . . . . 0.0 110.085 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.68 -13.96 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.662 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.23 94.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.598 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -50.59 -31.15 15.09 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.583 178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.29 -9.42 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -118.75 -85.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.715 0.293 . . . . 0.0 111.389 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.22 19.99 19.43 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.15 -174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 57.4 t80 -109.48 -9.67 14.91 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.638 0.732 . . . . 0.0 109.159 175.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . . . -125.28 -173.93 2.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.918 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.4 m0 -85.1 50.59 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.228 0.537 . . . . 0.0 111.261 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 47.9 m-80 -91.27 132.39 36.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 6.6 t -89.39 99.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.164 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.8 p -98.13 120.75 39.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 111.775 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.94 171.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.135 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -104.05 101.86 11.62 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.811 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' VAL . 97.2 mtt180 -102.21 121.39 42.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.732 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 44.95 35.31 1.48 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.802 0.841 . . . . 0.0 112.534 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -21.05 41.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.0 114.036 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' ARG . 11.8 p -99.54 139.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.667 0.734 . . . . 0.0 111.234 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.35 93.59 5.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.499 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.5 p -91.17 141.58 14.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.171 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 13.3 p -135.72 133.7 38.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.643 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -129.27 149.79 50.91 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.603 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' ASN . 15.1 ptm180 -90.13 141.87 28.27 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.839 -173.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -74.0 146.03 44.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.026 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.16 112.2 24.26 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.914 179.161 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.229 0.537 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -156.2 148.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -91.77 117.14 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.601 . . . . 0.0 109.968 177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.2 63.49 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.158 -0.928 . . . . 0.0 113.818 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -61.96 -31.26 71.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.192 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -102.51 -6.27 23.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.061 0.458 . . . . 0.0 110.379 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.46 -15.98 63.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 0.0 110.271 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.3 -21.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -88.98 -14.34 36.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.009 0.433 . . . . 0.0 110.479 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.29 -15.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -65.28 -30.75 71.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -63.45 -39.92 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -68.46 -30.17 68.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.21 0.529 . . . . 0.0 110.37 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.27 -44.37 62.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.915 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.7 -42.76 90.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.003 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.66 94.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.089 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.92 98.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.083 0.468 . . . . 0.0 110.961 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.24 -22.47 60.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.747 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -78.55 -40.83 33.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.67 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.51 -28.22 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.781 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.2 75.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.07 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.684 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.01 -6.35 26.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -136.67 -50.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.92 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.46 79.52 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.847 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -104.97 -20.4 13.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.337 0.589 . . . . 0.0 109.462 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.64 54.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.79 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.96 19.08 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.235 -178.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 43' ' ' ARG . 95.2 m-20 -65.74 160.6 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.437 . . . . 0.0 110.697 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 43' ' ' ARG . 3.7 t -89.55 98.47 8.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.704 ' SG ' ' HG2' ' A' ' 38' ' ' ARG . 1.7 t -111.82 130.06 55.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.532 0.682 . . . . 0.0 110.365 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -144.64 165.95 12.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.267 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -91.87 89.22 6.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.667 0.746 . . . . 0.0 110.137 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -92.29 114.17 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.161 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t30 65.57 19.72 11.53 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 122.002 0.906 . . . . 0.0 109.689 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.55 -19.72 49.39 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.795 -0.716 . . . . 0.0 113.135 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.1 141.34 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.704 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 47.1 ttp180 -79.12 97.25 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.387 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -103.33 138.53 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.683 -173.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -115.93 141.65 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.899 0.38 . . . . 0.0 110.785 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -144.38 167.79 21.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 42' ' ' ARG . 47.8 mtp180 -61.74 159.27 13.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.052 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HG3' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -95.55 146.97 24.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.258 0.551 . . . . 0.0 111.418 -175.609 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.73 11.08 16.75 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.605 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.25 1.131 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.86 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.14 117.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.505 0.669 . . . . 0.0 110.995 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -135.74 166.69 22.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.46 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.27 11.15 51.48 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.326 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.2 ptt180 -57.45 -41.61 80.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 68.1 p-90 -88.08 -27.92 21.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.08 0.467 . . . . 0.0 110.076 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -68.5 -42.0 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.6 -29.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.641 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.7 mmm180 -72.19 -35.28 68.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.173 0.511 . . . . 0.0 109.94 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.99 -0.09 56.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.321 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -100.97 -48.81 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -93.39 17.75 10.85 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -63.65 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.46 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.84 -34.29 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.301 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -73.59 -22.74 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.2 2.41 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 3.01 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.202 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.22 8.03 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.346 0.593 . . . . 0.0 110.288 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -67.46 -17.05 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.739 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.97 -20.15 63.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.94 -14.13 62.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.428 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.59 67.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.1 -20.46 59.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.638 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -93.38 -61.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.756 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.35 37.36 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.951 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -89.87 -17.49 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.649 0.738 . . . . 0.0 109.953 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 29' ' ' ASN . . . -118.9 173.05 7.11 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.959 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' O ' ' HD3' ' A' ' 43' ' ' ARG . 68.2 m95 -84.66 47.07 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.487 0.661 . . . . 0.0 111.592 -174.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 27' ' ' ALA . 1.9 p-10 -110.84 126.98 55.23 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.677 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t -89.33 97.17 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.748 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.2 p -112.41 133.56 54.43 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 34' ' ' ARG . 34.6 m -136.68 165.3 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 m-85 -105.07 88.51 2.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.317 0.58 . . . . 0.0 110.907 -173.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 32' ' ' VAL . 34.3 mtp180 -89.74 110.12 21.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.975 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 67.55 31.51 6.14 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 122.066 0.936 . . . . 0.0 109.639 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 4.39 71.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.632 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 23.7 t -98.5 134.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -81.35 89.95 6.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.604 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.748 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 1.3 m -87.18 142.02 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 28.4 m -129.9 139.54 51.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -135.43 170.29 16.17 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HA ' HH21 ' A' ' 43' ' ' ARG . 74.0 mtp180 -59.83 155.58 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.861 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.498 HH21 ' HA ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.72 156.47 16.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' ASN . . . -98.59 -29.51 13.02 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.788 170.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 63.7 t30 . . . . . 0 C--O 1.251 1.171 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.084 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.79 0.329 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -108.13 161.45 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -79.42 118.02 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.164 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.85 -0.14 63.51 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.781 -172.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 7.3 ptp85 -73.52 -46.05 50.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.315 0.557 . . . . 0.0 110.8 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 72.5 t-105 -111.95 -41.68 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.951 -175.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -78.13 0.24 25.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -166.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.58 -19.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.166 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -61.22 -34.94 75.93 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.235 0.541 . . . . 0.0 110.362 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 -22.51 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -64.43 -23.15 67.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 53.3 m-85 -61.57 -16.38 47.46 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.697 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -80.87 -52.61 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.574 0.226 . . . . 0.0 111.419 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -73.75 -32.0 63.62 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -90.53 9.83 27.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' PHE . . . -69.22 -20.73 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -11.45 60.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.91 8.48 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.612 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -82.65 14.82 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.359 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.84 -19.61 18.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.961 0.41 . . . . 0.0 111.345 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.87 1.65 56.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.604 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.02 68.7 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -67.28 -11.2 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.447 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -96.41 7.75 45.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.79 28.73 13.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.192 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -98.35 7.29 46.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.706 0.765 . . . . 0.0 110.12 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -175.4 -24.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.263 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 20.0 m0 -114.42 93.37 4.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.688 178.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -110.42 122.21 47.15 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 8.1 t -88.22 98.26 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 5.3 p -104.11 124.74 49.63 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.504 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 -179.2 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.989 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -112.82 95.48 5.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.09 0.471 . . . . 0.0 111.086 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -95.91 128.45 42.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.367 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p30 50.27 20.99 0.72 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.255 1.022 . . . . 0.0 112.261 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.62 -11.92 57.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.919 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.04 137.54 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 110.3 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -76.04 109.98 10.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.698 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.9 p -113.25 135.35 53.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.281 -174.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.0 p -122.71 145.1 48.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.128 0.49 . . . . 0.0 111.271 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -138.86 166.35 24.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.066 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 30.3 ptt180 -62.3 145.81 52.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.213 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' TRP . 75.6 ttt180 -100.51 143.48 30.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.93 104.92 9.88 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.437 175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.125 -177.007 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.72 0.295 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.44 81.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.183 0.516 . . . . 0.0 110.678 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.32 135.04 33.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.84 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.42 25.33 4.45 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.99 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -25.37 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.584 0.231 . . . . 0.0 111.199 -177.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -81.59 -37.48 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.33 -28.77 69.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 31.4 m -104.11 6.79 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 78.7 ttt180 -67.97 -50.16 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.568 -173.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.75 23.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.21 -178.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 5.4 p -85.19 -53.28 5.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -177.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -107.87 -46.31 3.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.65 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 74.9 t80 -56.98 -32.48 66.12 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -59.11 -42.21 90.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.141 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -83.9 -36.58 23.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.194 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 13' ' ' PHE . . . -59.67 -37.06 77.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.43 79.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.735 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.35 81.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.596 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -72.32 -26.17 61.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -81.14 -55.81 4.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.053 0.454 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.15 -55.15 4.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.06 -174.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 12.75 1.92 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -172.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.68 -30.71 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.049 0.452 . . . . 0.0 110.291 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -150.0 126.55 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.957 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.51 -50.46 1.42 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.621 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.628 ' HA ' ' ND2' ' A' ' 29' ' ' ASN . 62.1 m-85 -112.02 25.84 11.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.222 0.534 . . . . 0.0 110.165 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.91 4.6 29.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.641 0.734 . . . . 0.0 110.614 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -139.96 44.12 1.92 Allowed 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.659 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.628 ' ND2' ' HA ' ' A' ' 26' ' ' PHE . 96.3 m-20 -110.89 165.83 11.53 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.322 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 t -111.94 99.9 9.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.463 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 21.2 p -100.49 128.45 46.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.291 0.567 . . . . 0.0 112.006 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -138.95 153.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.771 176.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -90.5 92.76 9.01 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.166 0.508 . . . . 0.0 111.186 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -96.66 114.78 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.282 175.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 t30 63.97 35.34 10.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.897 0.856 . . . . 0.0 109.304 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.48 -9.01 52.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.105 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 135.39 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.97 0.414 . . . . 0.0 110.201 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -78.43 89.74 4.42 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 110.044 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -82.93 136.27 23.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.726 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.87 133.18 44.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.045 0.45 . . . . 0.0 111.822 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -124.88 163.36 22.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.079 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.45 146.25 36.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.855 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.32 146.05 29.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.35 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.46 71.46 1.76 Allowed 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.312 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.287 -177.318 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.604 0.24 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.77 162.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -116.54 109.8 17.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -65.71 -32.43 83.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.27 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HD3' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -60.7 -23.02 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.997 0.427 . . . . 0.0 111.297 178.056 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.526 ' N ' ' HD3' ' A' ' 5' ' ' ARG . 65.0 t-105 -90.54 -36.61 14.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -61.14 -44.78 96.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.496 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 4' ' ' GLY . 57.7 t -59.48 -38.29 74.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.617 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -72.28 -48.54 41.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.456 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.8 81.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.655 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -62.18 -51.04 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.337 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.28 -26.39 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.77 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.58 -26.91 65.8 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.38 -44.85 90.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.89 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.51 -11.51 40.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.052 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.58 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.02 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.341 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.89 -22.73 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.248 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -69.74 -44.71 69.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.272 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -13.61 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 110.442 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.03 19.61 15.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.009 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -37.24 -44.94 0.61 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -91.46 61.0 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.22 0.533 . . . . 0.0 110.337 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.61 39.75 0.29 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.026 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -85.64 -27.28 25.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.67 17.96 22.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.578 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 7.0 m-90 50.52 94.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.024 -179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 13.4 m120 -77.11 117.07 18.3 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.102 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 16.3 t -88.05 97.75 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.0 p -103.84 125.18 50.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.523 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 m -135.66 163.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.01 89.17 7.31 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.468 0.652 . . . . 0.0 109.414 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -103.2 118.5 36.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.6 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 65.19 20.58 11.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.528 0.68 . . . . 0.0 109.799 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.94 -18.83 56.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.721 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.28 137.95 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.462 0.649 . . . . 0.0 110.686 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.34 101.89 2.03 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -98.88 136.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.967 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 11.4 p -126.33 141.6 51.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.991 0.424 . . . . 0.0 111.402 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -137.55 165.67 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.856 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' H ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -79.04 132.89 36.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 -176.095 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 66.2 ttt180 -101.26 151.8 21.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.065 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.19 102.6 8.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.695 -0.669 . . . . 0.0 110.366 -179.473 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.606 0.241 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -97.26 129.54 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -84.44 109.5 17.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.618 0.723 . . . . 0.0 110.597 -178.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.91 24.95 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.079 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 5' ' ' ARG . 18.6 ptt85 -80.76 -37.47 30.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 176.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -110.42 -23.53 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.78 -20.05 66.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -32.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.607 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -50.01 74.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.314 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 13' ' ' PHE . . . -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -66.64 -51.51 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.008 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -62.33 -29.6 70.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.644 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 67.5 t80 -58.65 -29.04 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.222 0.534 . . . . 0.0 109.93 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -79.94 -30.1 39.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.393 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.42 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.84 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.629 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.42 -11.8 59.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.196 0.522 . . . . 0.0 110.787 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 60.5 tttm -85.49 12.23 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 109.983 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.1 4.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.354 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -14.86 62.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.084 0.469 . . . . 0.0 110.798 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 26' ' ' PHE . . . -101.38 20.64 15.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.99 -13.95 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.24 -40.93 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.383 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.84 19.12 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.11 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 84.9 m-85 -121.27 0.62 10.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.85 0.357 . . . . 0.0 111.257 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -171.85 66.16 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.014 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.63 50.93 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.596 0.712 . . . . 0.0 110.751 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -73.35 140.3 46.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.073 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.2 t -89.43 98.45 8.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 16.5 p -112.01 137.68 49.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.631 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.64 159.41 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -89.51 91.15 8.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.534 0.683 . . . . 0.0 109.584 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -97.55 98.72 10.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.648 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 62.09 42.83 9.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.807 0.813 . . . . 0.0 109.769 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.14 -18.4 22.73 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.867 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -97.25 127.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.474 0.654 . . . . 0.0 110.193 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -82.73 98.83 9.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.14 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.747 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.7 m -92.3 138.33 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.572 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.7 p -126.79 128.47 46.63 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.974 0.416 . . . . 0.0 110.483 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -124.61 166.36 16.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.065 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.68 154.38 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.575 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -72.5 141.88 48.54 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -153.34 65.96 0.76 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.75 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.16 -177.385 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.52 50.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.281 0.562 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.46 146.71 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.24 28.37 3.38 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.896 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -61.02 -20.76 62.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.174 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -84.85 -28.62 25.92 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.561 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.59 -29.78 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 5' ' ' ARG . 7.2 p -67.24 -16.43 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.989 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 75.2 ttt180 -65.48 -28.68 69.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -22.72 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.632 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -72.33 -22.64 61.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.106 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 9' ' ' ARG . 37.9 m-85 -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.302 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.04 -29.93 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.18 -35.98 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.336 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.75 -41.65 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.32 65.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.034 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.23 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 7.94 40.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.124 0.488 . . . . 0.0 110.399 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.88 -33.65 73.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.949 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.3 -34.49 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.157 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.23 -27.96 19.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.886 0.375 . . . . 0.0 110.387 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.39 68.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.312 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.13 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.487 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -78.33 -65.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.875 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.09 30.25 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.13 -1.033 . . . . 0.0 113.188 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -107.69 -17.93 13.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.219 0.533 . . . . 0.0 110.315 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.23 27.46 8.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.091 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 58.8 m95 -112.41 -0.26 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.605 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.16 128.33 35.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.255 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG23 ' HD3' ' A' ' 43' ' ' ARG . 43.9 t -88.24 97.66 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 2.6 p -106.8 127.83 53.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.445 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.4 166.08 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -94.53 90.23 6.11 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.604 0.716 . . . . 0.0 110.561 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -96.94 110.21 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.129 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.19 31.87 10.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.964 0.888 . . . . 0.0 109.163 -174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.46 -20.72 25.47 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.333 -0.849 . . . . 0.0 113.29 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.34 141.93 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.463 0.649 . . . . 0.0 110.198 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -76.62 111.12 11.78 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.55 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.9 p -106.37 136.5 40.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.696 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.0 p -121.62 122.45 39.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.187 0.518 . . . . 0.0 111.138 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.42 165.3 15.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.943 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -84.7 126.66 33.58 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.973 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' HD3' HG23 ' A' ' 30' ' ' VAL . 7.1 tpt180 -83.76 130.11 34.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.983 -174.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.93 100.83 7.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.788 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.601 -177.667 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t -107.19 -45.56 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.962 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 79.8 mm-40 -92.33 117.55 30.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.288 -178.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.48 -8.85 47.97 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.563 -0.744 . . . . 0.0 114.811 -169.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.471 ' NH1' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -74.65 -4.95 40.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.968 0.884 . . . . 0.0 110.523 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.471 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 58.8 t-105 -82.39 -13.11 57.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.286 0.565 . . . . 0.0 109.797 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.48 22.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.634 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' ARG . 15.6 m -55.07 -23.23 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.905 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.0 -25.51 65.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.389 . . . . 0.0 111.312 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.66 -20.47 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.6 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -82.0 -49.76 9.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -77.76 1.77 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.32 -33.5 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.11 -29.74 61.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 109.549 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.03 2.71 45.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.115 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.17 11.85 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.027 0.441 . . . . 0.0 111.046 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 12.38 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.137 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.14 -27.39 69.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.62 -24.75 64.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.329 . . . . 0.0 111.089 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.75 -4.82 53.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.268 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -59.81 -19.86 53.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.843 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.04 -33.45 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.898 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -155.41 -52.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.33 33.37 2.03 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.042 -174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 23.6 t80 -121.66 27.66 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.637 0.732 . . . . 0.0 109.245 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.88 61.74 1.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.335 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -75.04 -29.26 60.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.041 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -59.62 116.14 3.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.539 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 41' ' ' HIS . 4.0 t -89.11 97.42 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.9 p -119.66 143.05 47.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.584 -169.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.35 152.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.538 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 10.5 m-85 -82.63 96.45 8.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.352 0.596 . . . . 0.0 110.616 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.536 ' HB2' HG21 ' A' ' 39' ' ' VAL . 63.1 mtp180 -97.79 93.27 6.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.819 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.81 57.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.105 -174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.68 -18.24 4.91 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.752 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 17.1 t -97.84 135.46 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 0.0 110.556 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -82.18 103.95 12.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.2 t -103.24 118.87 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.311 -172.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -102.41 134.19 46.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -91.53 166.31 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -177.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -66.72 132.97 49.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.137 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 156.13 16.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.022 0.439 . . . . 0.0 110.91 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -154.18 87.95 1.21 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.351 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.208 179.041 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.538 0.208 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.94 84.28 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.549 0.69 . . . . 0.0 110.514 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -103.19 -177.28 3.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.364 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.52 91.81 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.166 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -5.8 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.427 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -96.0 -36.02 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.23 0.538 . . . . 0.0 109.695 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -85.48 16.64 3.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.866 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.42 -17.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -63.81 -31.33 72.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.35 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -67.2 -44.89 78.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -66.74 -34.74 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.603 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.89 -36.53 84.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.343 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.16 -44.66 75.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.91 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.12 -28.53 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.3 45.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.446 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.71 10.7 34.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.477 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.1 75.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.619 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -56.17 -41.44 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.047 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.6 -51.86 31.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.988 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 26' ' ' PHE . . . -72.87 -17.33 61.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.811 -174.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.72 0.295 . . . . 0.0 110.72 177.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.84 85.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.454 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -68.54 -60.58 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.358 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.16 27.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.837 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 33.5 m-85 -107.26 25.38 11.48 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.22 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.52 65.09 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.73 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.4 ' HZ3' ' ND2' ' A' ' 45' ' ' ASN . 11.8 m95 -81.71 56.93 3.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.228 -176.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -110.29 134.23 52.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.209 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -88.04 99.28 8.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.17 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.801 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.6 p -92.5 121.13 33.66 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.251 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 39' ' ' VAL . 6.6 m -132.4 156.31 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.23 90.01 7.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.536 0.684 . . . . 0.0 109.736 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -96.7 101.58 13.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.287 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 62.39 42.36 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.845 0.831 . . . . 0.0 109.853 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.85 -17.7 20.07 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.847 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.2 130.62 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.188 0.518 . . . . 0.0 110.214 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -84.38 100.72 11.47 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.515 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.801 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.0 m -88.55 142.18 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.731 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 19.5 m -133.15 111.63 11.07 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.1 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -116.93 138.91 51.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.229 0.537 . . . . 0.0 111.267 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -63.05 129.93 42.48 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.83 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.67 138.84 58.03 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.02 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.71 85.83 2.81 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.054 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' HZ3' ' A' ' 28' ' ' TRP . 3.3 m-20 . . . . . 0 C--O 1.244 0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.069 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 7' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.58 -45.81 70.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.364 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -101.42 -18.86 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 0.0 110.03 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 47.2 tptt -60.31 -26.49 66.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 110.839 -177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 29.9 m -63.49 -20.87 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.193 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -75.24 -29.88 60.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 -31.85 33.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.228 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t -63.99 -48.47 76.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.195 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 48.0 m-85 -75.93 6.17 5.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.053 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -68.21 -26.88 65.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.641 0.734 . . . . 0.0 109.429 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -80.54 -35.86 33.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.8 178.201 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 18.1 t . . . . . 0 N--CA 1.446 -0.64 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.2 p -96.4 120.83 37.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.994 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.56 162.04 35.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.927 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -93.33 88.22 5.91 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.635 0.731 . . . . 0.0 109.891 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -86.39 111.5 20.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.522 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 45.94 38.91 4.97 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.148 0.905 . . . . 0.0 112.063 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.13 -20.45 48.8 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.382 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.15 132.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 117.122 0.461 . . . . 0.0 110.648 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -75.95 102.81 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.31 0.576 . . . . 0.0 110.048 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.6 p -106.85 141.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.889 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.6 p -130.67 135.89 48.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.088 0.47 . . . . 0.0 111.475 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.261 176.628 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.7 -0.16 . . . . 0.0 112.7 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 10.1 ptp85 -50.65 -49.78 56.21 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.734 0.413 . . . . 0.0 111.909 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 66.5 t-105 -98.51 -15.96 19.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 0.0 110.241 -176.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.12 -12.27 49.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.483 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.22 -29.73 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.039 0.447 . . . . 0.0 110.845 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -70.28 -33.09 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.79 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -18.09 28.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.671 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -61.81 -26.43 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.535 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.88 -12.25 34.96 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -84.15 -43.89 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.649 0.261 . . . . 0.0 110.66 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -78.4 -32.2 48.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.657 0.265 . . . . 0.0 110.468 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 . . . . . 0 C--N 1.332 -0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 109.729 175.223 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 8.0 p -118.21 127.03 53.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.445 0.641 . . . . 0.0 111.968 -174.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 m -131.04 173.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.928 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -102.76 90.02 3.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.669 0.747 . . . . 0.0 110.582 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 39.1 ttt180 -96.24 118.46 32.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.324 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 11.2 m-80 63.54 21.75 12.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.317 0.579 . . . . 0.0 109.578 -172.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.22 -5.7 82.18 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.184 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.4 t -99.59 134.96 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.075 0.464 . . . . 0.0 110.317 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 38' ' ' ARG . 15.7 ttp180 -69.98 106.91 3.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.0 p -108.98 131.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.956 -177.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 10.1 p -123.87 139.09 54.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.756 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 p80 . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.469 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.39 -32.82 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.014 0.435 . . . . 0.0 110.391 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -85.99 -31.77 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.95 -33.12 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.788 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 4' ' ' GLY . 87.9 t -56.2 -52.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 0.0 109.845 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -61.62 -37.51 84.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.473 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.731 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -83.7 -10.7 57.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.596 0.713 . . . . 0.0 109.425 176.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -110.37 19.74 18.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.89 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -52.71 -34.09 50.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.274 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -76.06 -35.87 59.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 176.129 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -101.69 131.33 48.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.37 150.96 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.659 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -91.7 88.78 6.83 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HB2' HG21 ' A' ' 39' ' ' VAL . 72.5 mtp180 -91.86 120.36 32.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.404 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 46.73 33.7 2.23 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.141 0.901 . . . . 0.0 112.134 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.97 -12.07 65.78 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.399 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -99.4 137.67 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.453 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -79.65 92.9 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.899 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.2 t -87.78 129.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.012 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 p -127.64 134.59 49.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.27 0.557 . . . . 0.0 112.059 -174.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.6 p80 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.719 171.604 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.46 0 CA-C-O 120.8 0.111 . . . . 0.0 113.127 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -68.06 -29.77 68.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.437 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 66.5 t-105 -92.87 -24.2 18.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 110.978 -172.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -1.08 28.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.924 0.393 . . . . 0.0 111.095 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.63 -23.86 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.604 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 18.0 ptt180 -61.02 -26.92 67.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.09 40.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.78 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -99.55 9.91 42.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.93 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 9' ' ' ARG . 24.0 m-85 -111.44 -7.24 14.36 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -80.81 -5.3 57.05 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.024 -172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -90.13 -25.55 20.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.276 174.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.7 t . . . . . 0 N--CA 1.446 -0.654 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 4.3 p -90.99 121.14 32.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.671 -175.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 39' ' ' VAL . 20.5 m -128.76 -179.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -115.06 109.61 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.355 -173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 28.4 ptt180 -107.75 114.62 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.376 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t30 56.65 38.94 29.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.743 0.782 . . . . 0.0 110.305 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.6 -13.31 36.01 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.025 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -98.86 134.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.008 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -73.35 129.83 38.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.312 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 p -126.94 136.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.674 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 17.5 m -125.39 135.9 52.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.012 0.434 . . . . 0.0 110.886 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 p80 . . . . . 0 CA--C 1.511 -0.529 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.364 176.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.511 0 CA-C-O 120.278 -0.179 . . . . 0.0 112.774 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -8.06 52.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -60.1 -36.92 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 109.987 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.31 -23.86 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.6 -35.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.564 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -71.33 -46.49 60.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.166 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' O ' ' HD1' ' A' ' 13' ' ' PHE . . . -77.65 1.81 18.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.042 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -54.67 -22.0 12.4 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -83.65 14.16 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.614 0.245 . . . . 0.0 110.995 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 54.9 p90 -58.05 -31.61 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -86.84 -18.95 29.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 110.007 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-O 121.503 0.668 . . . . 0.0 109.234 175.665 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.0 t . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -107.72 124.79 50.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.493 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.33 153.64 20.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.864 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -83.47 92.56 7.61 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.579 0.704 . . . . 0.0 110.017 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -100.85 103.21 14.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.665 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 69.07 40.13 1.64 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.842 0.83 . . . . 0.0 109.524 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.67 18.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.526 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.7 140.95 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.141 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -80.22 96.88 6.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.659 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.8 p -86.11 132.27 32.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.079 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.6 p -127.02 138.24 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.817 0.341 . . . . 0.0 111.077 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 175.293 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.849 -0.1 . . . . 0.0 112.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -3.29 17.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -96.84 -51.22 4.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.907 0.384 . . . . 0.0 109.979 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -70.35 -25.85 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 9.8 p -62.81 -20.54 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -74.02 -15.5 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.41 -48.8 5.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.026 0.441 . . . . 0.0 110.629 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -64.31 -38.62 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.315 0.579 . . . . 0.0 110.305 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 45.9 m-85 -104.7 22.23 15.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.255 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -49.9 -33.73 18.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 111.739 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.4 -36.1 79.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.582 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.083 -178.827 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.4 p -119.02 132.32 56.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.607 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.89 172.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.984 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -96.13 96.37 8.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.631 0.729 . . . . 0.0 110.572 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 39' ' ' VAL . 69.7 ttt180 -91.23 108.61 19.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.362 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.27 41.25 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.757 0.823 . . . . 0.0 111.963 -177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.73 -20.02 51.67 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.159 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -100.79 132.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 38' ' ' ARG . 21.1 ttt180 -73.6 106.31 5.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.93 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -106.96 136.83 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.378 -174.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 25.0 p -126.7 139.98 52.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 0.0 111.045 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.613 171.43 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 6.6 ppt_? -70.54 13.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -97.94 -49.08 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -89.4 -35.44 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.93 -8.88 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.719 . . . . 0.0 109.705 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 47.5 ttp180 -57.84 -40.3 79.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.745 177.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.57 -22.6 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -72.24 -21.13 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.947 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.93 -16.6 62.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.268 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -67.67 -27.01 66.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.549 . . . . 0.0 109.888 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.82 -35.81 57.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.892 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.58 178.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.447 -0.588 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.8 p -100.49 130.42 46.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.369 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.15 152.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.654 176.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -88.13 87.75 7.42 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.964 0.887 . . . . 0.0 109.806 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 63.0 ttt180 -103.32 115.2 30.1 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.904 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.581 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 16.3 m-80 67.07 21.79 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.616 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.23 -1.71 88.24 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.8 136.74 28.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -78.15 89.47 4.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.411 0.624 . . . . 0.0 109.77 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.1 t -87.8 116.98 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.509 -175.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 20.5 m -104.51 116.89 32.88 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.633 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 C--N 1.317 -0.825 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.387 -177.173 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.418 ' NH1' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.6 -5.43 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 111.092 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.34 -38.05 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 110.028 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -63.59 -23.26 67.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.6 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.87 -51.72 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.303 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HD2' ' NH1' ' A' ' 5' ' ' ARG . 13.9 ptm180 -66.45 -29.91 70.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.56 67.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -71.79 -40.66 69.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.722 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -69.95 -48.67 57.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.95 -30.13 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -60.89 -40.81 94.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.844 0.354 . . . . 0.0 110.325 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.567 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.2 t . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -101.82 121.03 41.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.9 -175.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -141.22 153.12 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.996 176.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -86.92 89.49 8.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.404 0.621 . . . . 0.0 111.022 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' HG11 ' A' ' 39' ' ' VAL . 77.7 mtp180 -94.55 123.95 38.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 65.52 19.05 11.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.938 0.495 . . . . 0.0 109.993 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.65 -9.69 76.41 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.851 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.32 134.59 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.383 0.592 . . . . 0.0 110.677 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -72.1 92.64 1.34 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.209 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -87.52 141.94 13.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.485 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 21.8 m -131.3 137.99 49.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -176.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.935 173.551 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.217 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.53 -34.99 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.603 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -80.44 -27.74 37.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.689 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 51.6 tttm -64.81 -19.58 65.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.02 -38.37 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.51 0.671 . . . . 0.0 109.506 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -81.14 -24.51 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.641 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -86.32 0.07 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.401 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -112.7 -40.18 4.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 0.0 110.055 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -86.92 17.19 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -61.32 -27.83 68.77 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.272 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.325 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.018 179.218 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.448 -0.533 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -104.87 133.05 50.33 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.263 -172.116 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.29 161.67 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.31 109.25 22.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.645 0.736 . . . . 0.0 110.996 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -112.51 115.35 28.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.045 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 62.94 31.5 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.827 0.822 . . . . 0.0 109.716 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.65 -9.58 58.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.631 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.71 136.59 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.17 0.51 . . . . 0.0 110.434 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -85.19 100.62 11.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.009 -176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.722 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.2 m -87.75 142.68 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.712 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -133.37 124.97 28.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.892 0.377 . . . . 0.0 111.116 -175.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 p80 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 175.276 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 112.293 -0.323 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -48.8 -37.16 18.41 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.151 0.58 . . . . 0.0 112.527 -174.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.441 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 14.9 t-105 -85.25 -38.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 0.0 110.094 -176.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -68.9 -38.01 79.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.024 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.06 -33.29 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -85.15 -6.64 59.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 110.319 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.18 -36.03 15.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.181 0.515 . . . . 0.0 109.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.191 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.31 18.92 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.74 -20.66 65.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.335 0.588 . . . . 0.0 111.068 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -64.14 -39.9 95.02 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.571 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.42 178.637 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.6 p -106.59 121.13 43.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.804 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.55 168.13 22.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.952 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.12 89.34 5.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.412 0.625 . . . . 0.0 110.13 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.625 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 51.6 ttp180 -95.42 117.92 31.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.638 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.625 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 6.2 m-80 62.96 19.19 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.999 0.52 . . . . 0.0 110.14 -175.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.62 55.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.951 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 34' ' ' ARG . 14.4 p -99.87 141.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 117.689 0.745 . . . . 0.0 110.82 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -72.68 104.31 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.083 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.1 p -106.6 128.0 61.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.535 -175.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.5 p -115.87 120.05 37.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.05 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.0 p80 . . . . . 0 C--N 1.318 -0.787 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.564 -177.166 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 119.978 -0.345 . . . . 0.0 113.033 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -46.81 -59.58 2.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.192 0.52 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -83.68 -16.38 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.886 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.66 -44.58 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 31.1 m -72.89 -9.11 12.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -101.64 2.93 39.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.059 0.457 . . . . 0.0 110.262 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.49 -61.43 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -94.01 -33.26 13.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.0 110.916 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 8' ' ' VAL . 84.8 m-85 -102.21 19.78 18.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.25 -31.58 53.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.832 0.349 . . . . 0.0 111.421 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.69 -31.51 72.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.341 0.591 . . . . 0.0 110.091 178.712 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 6.6 t . . . . . 0 N--CA 1.445 -0.722 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.8 p -98.13 120.75 39.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 111.775 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.94 171.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.135 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -104.05 101.86 11.62 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.811 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' VAL . 97.2 mtt180 -102.21 121.39 42.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.732 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 44.95 35.31 1.48 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.802 0.841 . . . . 0.0 112.534 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -21.05 41.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.0 114.036 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' ARG . 11.8 p -99.54 139.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.667 0.734 . . . . 0.0 111.234 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.35 93.59 5.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.499 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.5 p -91.17 141.58 14.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.171 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 13.3 p -135.72 133.7 38.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.643 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 CA--C 1.507 -0.674 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.603 171.878 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 113.818 0.287 . . . . 0.0 113.818 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -61.96 -31.26 71.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.192 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -102.51 -6.27 23.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.061 0.458 . . . . 0.0 110.379 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.46 -15.98 63.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 0.0 110.271 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.3 -21.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -88.98 -14.34 36.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.009 0.433 . . . . 0.0 110.479 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.29 -15.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -65.28 -30.75 71.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -63.45 -39.92 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -68.46 -30.17 68.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.21 0.529 . . . . 0.0 110.37 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.27 -44.37 62.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.915 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.003 176.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 3.7 t . . . . . 0 N--CA 1.448 -0.571 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.704 ' SG ' ' HG2' ' A' ' 38' ' ' ARG . 1.7 t -111.82 130.06 55.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.532 0.682 . . . . 0.0 110.365 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -144.64 165.95 12.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.267 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -91.87 89.22 6.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.667 0.746 . . . . 0.0 110.137 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -92.29 114.17 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.161 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t30 65.57 19.72 11.53 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 122.002 0.906 . . . . 0.0 109.689 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.55 -19.72 49.39 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.795 -0.716 . . . . 0.0 113.135 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.1 141.34 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.704 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 47.1 ttp180 -79.12 97.25 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.387 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -103.33 138.53 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.683 -173.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -115.93 141.65 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.899 0.38 . . . . 0.0 110.785 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 p80 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 178.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.2 ptt180 -57.45 -41.61 80.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 68.1 p-90 -88.08 -27.92 21.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.08 0.467 . . . . 0.0 110.076 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -68.5 -42.0 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.6 -29.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.641 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.7 mmm180 -72.19 -35.28 68.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.173 0.511 . . . . 0.0 109.94 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.99 -0.09 56.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.321 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -100.97 -48.81 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -93.39 17.75 10.85 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -63.65 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.46 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.84 -34.29 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.301 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.143 178.151 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t . . . . . 0 CA--C 1.51 -0.57 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.748 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.2 p -112.41 133.56 54.43 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 34' ' ' ARG . 34.6 m -136.68 165.3 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 m-85 -105.07 88.51 2.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.317 0.58 . . . . 0.0 110.907 -173.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 32' ' ' VAL . 34.3 mtp180 -89.74 110.12 21.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.975 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 67.55 31.51 6.14 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 122.066 0.936 . . . . 0.0 109.639 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 4.39 71.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.632 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 23.7 t -98.5 134.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -81.35 89.95 6.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.604 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.748 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 1.3 m -87.18 142.02 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 28.4 m -129.9 139.54 51.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.499 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 113.781 0.273 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 7.3 ptp85 -73.52 -46.05 50.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.315 0.557 . . . . 0.0 110.8 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 72.5 t-105 -111.95 -41.68 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.951 -175.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -78.13 0.24 25.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -166.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.58 -19.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.166 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -61.22 -34.94 75.93 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.235 0.541 . . . . 0.0 110.362 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 -22.51 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -64.43 -23.15 67.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -61.57 -16.38 47.46 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.697 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -80.87 -52.61 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.574 0.226 . . . . 0.0 111.419 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -73.75 -32.0 63.62 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.416 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 8.1 t . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 5.3 p -104.11 124.74 49.63 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.504 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 -179.2 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.989 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -112.82 95.48 5.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.09 0.471 . . . . 0.0 111.086 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -95.91 128.45 42.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.367 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p30 50.27 20.99 0.72 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.255 1.022 . . . . 0.0 112.261 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.62 -11.92 57.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.919 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.04 137.54 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 110.3 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -76.04 109.98 10.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.698 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.9 p -113.25 135.35 53.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.281 -174.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.0 p -122.71 145.1 48.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.128 0.49 . . . . 0.0 111.271 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.066 175.46 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.192 0 N-CA-C 112.99 -0.044 . . . . 0.0 112.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -25.37 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.584 0.231 . . . . 0.0 111.199 -177.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -81.59 -37.48 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.33 -28.77 69.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 31.4 m -104.11 6.79 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 78.7 ttt180 -67.97 -50.16 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.568 -173.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.75 23.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.21 -178.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 5.4 p -85.19 -53.28 5.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -177.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -107.87 -46.31 3.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.65 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 74.9 t80 -56.98 -32.48 66.12 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -59.11 -42.21 90.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.141 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 C--N 1.324 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.194 178.757 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.45 -0.466 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 21.2 p -100.49 128.45 46.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.291 0.567 . . . . 0.0 112.006 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -138.95 153.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.771 176.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -90.5 92.76 9.01 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.166 0.508 . . . . 0.0 111.186 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -96.66 114.78 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.282 175.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 t30 63.97 35.34 10.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.897 0.856 . . . . 0.0 109.304 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.48 -9.01 52.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.105 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 135.39 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.97 0.414 . . . . 0.0 110.201 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -78.43 89.74 4.42 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 110.044 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -82.93 136.27 23.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.726 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.87 133.18 44.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.045 0.45 . . . . 0.0 111.822 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.079 174.386 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 8' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HD3' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -60.7 -23.02 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.997 0.427 . . . . 0.0 111.297 178.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.526 ' N ' ' HD3' ' A' ' 5' ' ' ARG . 65.0 t-105 -90.54 -36.61 14.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -61.14 -44.78 96.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.496 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 4' ' ' GLY . 57.7 t -59.48 -38.29 74.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.617 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -72.28 -48.54 41.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.456 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.8 81.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.655 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -62.18 -51.04 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.337 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.28 -26.39 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.77 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.58 -26.91 65.8 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.38 -44.85 90.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.89 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.052 179.634 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 16.3 t . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.0 p -103.84 125.18 50.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.523 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 m -135.66 163.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.01 89.17 7.31 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.468 0.652 . . . . 0.0 109.414 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -103.2 118.5 36.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.6 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 65.19 20.58 11.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.528 0.68 . . . . 0.0 109.799 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.94 -18.83 56.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.721 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.28 137.95 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.462 0.649 . . . . 0.0 110.686 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.34 101.89 2.03 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -98.88 136.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.967 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 11.4 p -126.33 141.6 51.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.991 0.424 . . . . 0.0 111.402 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.856 174.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 CA-C-O 120.625 0.014 . . . . 0.0 113.079 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 5' ' ' ARG . 18.6 ptt85 -80.76 -37.47 30.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 176.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -110.42 -23.53 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.78 -20.05 66.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -32.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.607 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -50.01 74.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.314 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 13' ' ' PHE . . . -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -66.64 -51.51 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.008 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -62.33 -29.6 70.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.644 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 67.5 t80 -58.65 -29.04 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.222 0.534 . . . . 0.0 109.93 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.393 -178.852 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.2 t . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 16.5 p -112.01 137.68 49.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.631 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.64 159.41 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -89.51 91.15 8.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.534 0.683 . . . . 0.0 109.584 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -97.55 98.72 10.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.648 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 62.09 42.83 9.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.807 0.813 . . . . 0.0 109.769 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.14 -18.4 22.73 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.867 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -97.25 127.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.474 0.654 . . . . 0.0 110.193 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -82.73 98.83 9.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.14 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.747 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.7 m -92.3 138.33 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.572 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.7 p -126.79 128.47 46.63 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.974 0.416 . . . . 0.0 110.483 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.3 p80 . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.065 -179.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.411 0 N-CA-C 112.896 -0.082 . . . . 0.0 112.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -61.02 -20.76 62.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -84.85 -28.62 25.92 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.561 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.59 -29.78 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 5' ' ' ARG . 7.2 p -67.24 -16.43 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.989 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 75.2 ttt180 -65.48 -28.68 69.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -22.72 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.632 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -72.33 -22.64 61.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.106 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 9' ' ' ARG . 37.9 m-85 -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.302 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.04 -29.93 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.18 -35.98 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.336 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 . . . . . 0 C--N 1.329 -0.326 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.793 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.584 ' HB ' ' CD2' ' A' ' 41' ' ' HIS . 43.9 t . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 2.6 p -106.8 127.83 53.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.445 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.4 166.08 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -94.53 90.23 6.11 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.604 0.716 . . . . 0.0 110.561 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -96.94 110.21 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.129 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.19 31.87 10.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.964 0.888 . . . . 0.0 109.163 -174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.46 -20.72 25.47 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.333 -0.849 . . . . 0.0 113.29 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.34 141.93 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.463 0.649 . . . . 0.0 110.198 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -76.62 111.12 11.78 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.55 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.9 p -106.37 136.5 40.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.696 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.0 p -121.62 122.45 39.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.187 0.518 . . . . 0.0 111.138 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.943 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.414 0 N-CA-C 114.811 0.685 . . . . 0.0 114.811 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.471 ' NH1' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -74.65 -4.95 40.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.968 0.884 . . . . 0.0 110.523 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.471 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 58.8 t-105 -82.39 -13.11 57.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.286 0.565 . . . . 0.0 109.797 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.48 22.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.634 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' ARG . 15.6 m -55.07 -23.23 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.905 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.0 -25.51 65.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.389 . . . . 0.0 111.312 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.66 -20.47 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.6 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -82.0 -49.76 9.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -77.76 1.77 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.32 -33.5 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 109.549 -179.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 4.0 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.9 p -119.66 143.05 47.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.584 -169.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.35 152.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.538 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 10.5 m-85 -82.63 96.45 8.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.352 0.596 . . . . 0.0 110.616 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.536 ' HB2' HG21 ' A' ' 39' ' ' VAL . 63.1 mtp180 -97.79 93.27 6.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.819 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.81 57.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.105 -174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.68 -18.24 4.91 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.752 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 17.1 t -97.84 135.46 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 0.0 110.556 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -82.18 103.95 12.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.2 t -103.24 118.87 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.311 -172.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -102.41 134.19 46.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.472 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -177.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.236 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -5.8 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.427 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -96.0 -36.02 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.23 0.538 . . . . 0.0 109.695 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -85.48 16.64 3.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.866 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.42 -17.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -63.81 -31.33 72.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.35 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -67.2 -44.89 78.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -66.74 -34.74 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.603 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.89 -36.53 84.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.343 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.16 -44.66 75.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.91 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 178.105 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.801 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.6 p -92.5 121.13 33.66 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.251 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 39' ' ' VAL . 6.6 m -132.4 156.31 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.23 90.01 7.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.536 0.684 . . . . 0.0 109.736 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -96.7 101.58 13.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.287 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 62.39 42.36 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.845 0.831 . . . . 0.0 109.853 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.85 -17.7 20.07 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.847 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.2 130.62 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.188 0.518 . . . . 0.0 110.214 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -84.38 100.72 11.47 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.515 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.801 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.0 m -88.55 142.18 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.731 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 19.5 m -133.15 111.63 11.07 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.1 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 C--N 1.317 -0.826 0 CA-C-O 121.229 0.537 . . . . 0.0 111.267 -179.77 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.07 136.1 33.31 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.086 -177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 7' ' ' LYS . . . -103.21 -4.43 47.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.58 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.58 -45.81 70.11 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 122.525 0.33 . . . . 0.0 111.364 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 60.4 t90 -101.42 -18.86 15.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.908 0.385 . . . . 0.0 110.03 178.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HB3' ' HA2' ' A' ' 4' ' ' GLY . 47.2 tptt -60.31 -26.49 66.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.91 0.386 . . . . 0.0 110.839 -177.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.464 ' O ' ' HD2' ' A' ' 12' ' ' PHE . 29.9 m -63.49 -20.87 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.193 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -75.24 -29.88 60.37 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.24 -31.85 33.63 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.228 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.5 t -63.99 -48.47 76.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.195 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.464 ' HD2' ' O ' ' A' ' 8' ' ' VAL . 48.0 m-85 -75.93 6.17 5.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 112.053 -178.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -68.21 -26.88 65.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.641 0.734 . . . . 0.0 109.429 173.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -80.54 -35.86 33.88 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.009 178.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -79.89 -1.68 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.8 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.86 6.91 11.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.429 -178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.83 -13.6 57.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.472 0.653 . . . . 0.0 109.637 173.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.54 17.39 10.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.464 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -65.66 13.24 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -51.94 -41.14 61.82 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.171 0.441 . . . . 0.0 112.081 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.23 -25.45 29.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.24 0.543 . . . . 0.0 110.462 177.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -84.51 11.12 9.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.536 -0.757 . . . . 0.0 111.228 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.42 -28.19 52.52 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -164.92 110.57 0.95 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.617 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.69 45.9 5.91 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.972 -0.632 . . . . 0.0 114.255 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.544 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 67.9 t80 -119.32 -70.98 0.76 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.284 0.542 . . . . 0.0 109.968 172.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.59 50.54 1.81 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.342 -0.844 . . . . 0.0 109.759 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 82.0 m95 -113.01 25.42 11.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.691 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.86 126.35 41.06 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 18.1 t -87.69 97.39 6.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.606 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.2 p -96.4 120.83 37.42 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.994 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.56 162.04 35.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.927 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -93.33 88.22 5.91 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.635 0.731 . . . . 0.0 109.891 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -86.39 111.5 20.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.674 -1.148 . . . . 0.0 109.522 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 45.94 38.91 4.97 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.148 0.905 . . . . 0.0 112.063 -175.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.13 -20.45 48.8 Favored Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.382 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.15 132.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 117.122 0.461 . . . . 0.0 110.648 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -75.95 102.81 5.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.31 0.576 . . . . 0.0 110.048 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.6 p -106.85 141.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.889 -174.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.609 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 24.6 p -130.67 135.89 48.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.088 0.47 . . . . 0.0 111.475 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -133.46 152.89 51.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.261 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -79.77 131.33 35.89 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.924 -171.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.89 149.89 49.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.999 175.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.29 81.32 3.06 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.866 -179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.0 t30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.492 -177.234 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.763 0.316 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.3 m -139.02 -173.97 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.367 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.483 ' HG3' ' H ' ' A' ' 5' ' ' ARG . 5.8 tp60 -75.87 132.19 40.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.042 0.448 . . . . 0.0 110.568 -179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.15 27.0 22.31 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.7 -176.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.506 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 10.1 ptp85 -50.65 -49.78 56.21 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.734 0.413 . . . . 0.0 111.909 -178.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.506 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 66.5 t-105 -98.51 -15.96 19.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.186 0.517 . . . . 0.0 110.241 -176.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.12 -12.27 49.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.483 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 p -55.22 -29.73 23.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.039 0.447 . . . . 0.0 110.845 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -70.28 -33.09 71.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.79 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.05 -18.09 28.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.671 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -61.81 -26.43 68.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.535 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -63.88 -12.25 34.96 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -84.15 -43.89 14.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.649 0.261 . . . . 0.0 110.66 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -78.4 -32.2 48.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.657 0.265 . . . . 0.0 110.468 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.13 -20.24 63.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.23 0.538 . . . . 0.0 109.729 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.82 -5.85 52.22 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.674 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.53 -11.35 58.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.404 0.621 . . . . 0.0 109.601 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.17 13.01 20.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.613 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -77.59 7.35 5.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.467 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.05 -17.65 63.58 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.98 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 0.71 49.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.312 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.33 66.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.651 -178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.65 -30.24 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.911 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -83.69 -9.39 58.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.254 0.549 . . . . 0.0 110.37 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.45 38.45 1.33 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.898 178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -108.7 21.37 17.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.238 0.542 . . . . 0.0 110.467 177.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -151.4 170.63 19.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.8 m95 -87.64 -17.9 30.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.069 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -56.18 134.69 53.17 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.848 0.356 . . . . 0.0 110.533 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t -88.44 97.61 6.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 8.0 p -118.21 127.03 53.35 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.445 0.641 . . . . 0.0 111.968 -174.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.0 m -131.04 173.11 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.928 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -102.76 90.02 3.67 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.669 0.747 . . . . 0.0 110.582 -176.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 39.1 ttt180 -96.24 118.46 32.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.324 -177.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 11.2 m-80 63.54 21.75 12.88 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.317 0.579 . . . . 0.0 109.578 -172.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.22 -5.7 82.18 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.184 -176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.4 t -99.59 134.96 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.075 0.464 . . . . 0.0 110.317 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 38' ' ' ARG . 15.7 ttp180 -69.98 106.91 3.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.0 p -108.98 131.87 58.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.956 -177.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 10.1 p -123.87 139.09 54.31 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.756 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -131.27 167.47 19.17 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.469 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ptt180 -60.68 150.79 31.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.739 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 169.5 18.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.245 -177.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.91 40.42 0.73 Allowed 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.495 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.558 -0.734 . . . . 0.0 110.124 -177.61 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 121.063 0.459 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.62 -33.73 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.441 -170.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 6' ' ' TRP . 6.5 tp-100 -78.5 108.01 11.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.392 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -74.81 -35.85 49.4 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.368 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -58.39 -32.82 68.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.014 0.435 . . . . 0.0 110.391 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.486 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 3.4 t90 -85.99 -31.77 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -62.95 -33.12 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.788 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 4' ' ' GLY . 87.9 t -56.2 -52.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.062 0.458 . . . . 0.0 109.845 173.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -61.62 -37.51 84.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.473 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.24 -11.22 60.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.731 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.6 t -83.7 -10.7 57.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.596 0.713 . . . . 0.0 109.425 176.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -110.37 19.74 18.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.89 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -52.71 -34.09 50.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.274 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -76.06 -35.87 59.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -70.08 -50.29 42.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.036 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -31.88 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.49 -177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.09 -41.86 84.41 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -91.34 -23.24 20.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.727 0.299 . . . . 0.0 111.707 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' ' HB3' ' A' ' 19' ' ' LYS . 8.9 mtpm? -97.28 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.0 111.658 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.14 -51.95 9.46 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.458 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 26' ' ' PHE . . . -65.14 -56.63 11.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.546 -175.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.06 -20.64 26.01 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.49 -50.26 10.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.08 11.7 1.06 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 113.642 0.978 . . . . 0.0 113.642 -171.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -174.41 66.1 0.11 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 119.879 -1.153 . . . . 0.0 112.595 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.488 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 31.3 p90 -94.79 7.3 46.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.512 0.196 . . . . 0.0 111.259 -176.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 64.61 121.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 O-C-N 124.238 0.961 . . . . 0.0 110.458 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -75.26 53.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.756 0.789 . . . . 0.0 110.96 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.512 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 82.6 m-20 -111.72 150.37 30.31 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.2 t -96.86 99.79 9.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -101.69 131.33 48.0 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 121.086 0.47 . . . . 0.0 111.449 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.37 150.96 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.659 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -91.7 88.78 6.83 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.409 0.623 . . . . 0.0 110.328 -176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.596 ' HB2' HG21 ' A' ' 39' ' ' VAL . 72.5 mtp180 -91.86 120.36 32.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.404 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 46.73 33.7 2.23 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.141 0.901 . . . . 0.0 112.134 -175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.97 -12.07 65.78 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 121.21 -0.519 . . . . 0.0 113.399 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -99.4 137.67 26.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.004 0.43 . . . . 0.0 110.453 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -79.65 92.9 5.42 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.899 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 15.2 t -87.78 129.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.012 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 22.1 p -127.64 134.59 49.65 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.27 0.557 . . . . 0.0 112.059 -174.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -131.1 145.59 52.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.719 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -70.44 130.2 41.29 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.958 -170.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -66.23 150.24 49.1 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.923 -177.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.0 50.12 1.95 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.658 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.334 -179.698 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 . . . . . 0 N--CA 1.483 1.206 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.8 t -81.9 73.23 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-O 121.365 0.602 . . . . 0.0 109.763 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.494 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 2.5 tp60 -120.95 -168.18 1.61 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.601 -176.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.494 ' H ' ' HG3' ' A' ' 3' ' ' GLN . . . -54.09 -28.93 42.9 Favored Glycine 0 CA--C 1.521 0.46 0 C-N-CA 121.233 -0.508 . . . . 0.0 113.127 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -68.06 -29.77 68.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.437 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 66.5 t-105 -92.87 -24.2 18.55 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.927 0.394 . . . . 0.0 110.978 -172.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.48 -1.08 28.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.924 0.393 . . . . 0.0 111.095 -179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.6 p -58.63 -23.86 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.604 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.452 ' HA ' ' CD1' ' A' ' 12' ' ' PHE . 18.0 ptt180 -61.02 -26.92 67.95 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.714 176.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.46 -0.09 40.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.2 0.524 . . . . 0.0 110.78 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -99.55 9.91 42.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.93 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CD1' ' HA ' ' A' ' 9' ' ' ARG . 24.0 m-85 -111.44 -7.24 14.36 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -80.81 -5.3 57.05 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.028 -0.669 . . . . 0.0 112.024 -172.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -90.13 -25.55 20.65 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -80.88 -28.52 35.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.276 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.32 10.07 33.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.34 -4.37 35.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.156 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.95 -5.23 29.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.925 177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -78.06 8.36 4.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.68 176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.02 -23.84 65.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.99 0.424 . . . . 0.0 110.627 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.5 -30.03 69.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.761 177.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -74.47 -8.35 56.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.674 -177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.16 -30.72 12.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.995 0.426 . . . . 0.0 110.596 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -94.69 -33.34 12.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.406 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 157.79 85.12 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.34 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 75.8 t80 -120.62 -32.89 3.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.481 0.658 . . . . 0.0 109.572 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.58 68.84 1.48 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.126 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -61.22 105.82 0.54 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.085 176.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 18.7 p-10 -80.55 110.99 16.54 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.648 . . . . 0.0 110.726 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.7 t -88.53 98.43 7.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 175.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' HB3' ' SG ' ' A' ' 40' ' ' CYS . 4.3 p -90.99 121.14 32.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.671 -175.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 39' ' ' VAL . 20.5 m -128.76 -179.9 3.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -115.06 109.61 18.33 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.355 -173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 34' ' ' ARG . 28.4 ptt180 -107.75 114.62 28.7 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.376 177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.1 t30 56.65 38.94 29.94 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.743 0.782 . . . . 0.0 110.305 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.6 -13.31 36.01 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.025 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.8 t -98.86 134.46 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.035 0.445 . . . . 0.0 110.008 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -73.35 129.83 38.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.312 -177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.2 p -126.94 136.02 61.99 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.674 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 29' ' ' ASN . 17.5 m -125.39 135.9 52.88 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 121.012 0.434 . . . . 0.0 110.886 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -131.72 157.38 43.94 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.364 176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -86.24 145.48 26.94 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.395 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -72.47 142.73 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.06 0.457 . . . . 0.0 110.418 178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.05 67.79 9.81 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.767 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.987 -179.121 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 1' ' ' ARG . 1.5 mmp_? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -115.48 124.81 72.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.129 0.49 . . . . 0.0 110.418 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.555 ' HB3' ' HB3' ' A' ' 6' ' ' TRP . 2.1 mp0 -99.41 108.52 21.03 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.41 -71.57 1.21 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.774 -174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -8.06 52.37 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.908 0.385 . . . . 0.0 110.995 -177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.555 ' HB3' ' HB3' ' A' ' 3' ' ' GLN . 79.1 t90 -60.1 -36.92 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 109.987 175.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -69.31 -23.86 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.229 0.538 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.4 t -76.6 -35.07 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.564 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -71.33 -46.49 60.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.166 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' O ' ' HD1' ' A' ' 13' ' ' PHE . . . -77.65 1.81 18.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.042 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -54.67 -22.0 12.4 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -83.65 14.16 4.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.614 0.245 . . . . 0.0 110.995 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' HD1' ' O ' ' A' ' 10' ' ' ALA . 54.9 p90 -58.05 -31.61 67.19 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -86.84 -18.95 29.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.16 0.505 . . . . 0.0 110.007 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -89.47 -15.85 32.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.503 0.668 . . . . 0.0 109.234 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.89 14.26 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.581 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.05 -15.62 63.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.477 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.95 -0.71 3.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.307 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -72.83 0.3 11.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.317 0.579 . . . . 0.0 110.105 176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.6 -7.1 23.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.564 . . . . 0.0 110.038 173.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.69 -3.63 12.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.854 174.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.8 -26.1 61.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.207 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.07 56.5 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.799 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -131.19 7.0 4.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.846 0.355 . . . . 0.0 110.708 176.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.68 103.42 2.8 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.057 -177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -94.08 -5.92 46.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.266 0.555 . . . . 0.0 110.305 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 57.57 3.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.247 -176.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 25.6 p-90 -83.54 -3.42 57.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.771 0.796 . . . . 0.0 109.574 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.518 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -84.39 141.25 30.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.783 172.736 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.0 t -87.97 97.57 6.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 176.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.659 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.1 p -107.72 124.79 50.54 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.493 -178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.6 m -141.33 153.64 20.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.126 -0.943 . . . . 0.0 109.864 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -83.47 92.56 7.61 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.579 0.704 . . . . 0.0 110.017 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -100.85 103.21 14.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.644 -1.162 . . . . 0.0 108.665 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 69.07 40.13 1.64 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.842 0.83 . . . . 0.0 109.524 -174.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.95 -20.67 18.98 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.758 -0.734 . . . . 0.0 113.526 173.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 p -103.7 140.95 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.141 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 ttp180 -80.22 96.88 6.71 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.202 -176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.659 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 10.8 p -86.11 132.27 32.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.079 -178.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.6 p -127.02 138.24 53.21 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.817 0.341 . . . . 0.0 111.077 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -141.16 153.01 45.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.295 175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.6 ptt180 -72.94 142.79 47.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.106 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -76.42 167.55 21.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.18 82.57 5.33 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.226 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.599 -178.102 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.609 0.242 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.8 m -102.64 96.73 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.381 0.61 . . . . 0.0 111.348 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -98.37 -171.07 2.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 -36.64 64.72 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 121.331 -0.461 . . . . 0.0 112.849 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -3.29 17.4 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -96.84 -51.22 4.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.907 0.384 . . . . 0.0 109.979 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -70.35 -25.85 63.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 -177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 9.8 p -62.81 -20.54 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -74.02 -15.5 61.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.007 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.41 -48.8 5.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.026 0.441 . . . . 0.0 110.629 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.9 t -64.31 -38.62 91.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.315 0.579 . . . . 0.0 110.305 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 8' ' ' VAL . 45.9 m-85 -104.7 22.23 15.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.255 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -49.9 -33.73 18.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.906 0.384 . . . . 0.0 111.739 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.589 ' H ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -61.4 -36.1 79.36 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.582 177.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -87.31 -29.22 21.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.083 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.03 -14.75 63.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.603 177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.55 -17.22 42.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.331 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.67 6.56 21.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.329 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -25.13 67.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.744 0.307 . . . . 0.0 111.084 -176.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.03 -31.93 73.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.744 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.33 14.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.427 178.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.55 -26.41 68.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.567 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.46 -29.14 70.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.579 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -117.57 11.92 13.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.026 0.441 . . . . 0.0 110.904 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.87 98.11 1.32 Allowed Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.023 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -79.53 -33.12 42.25 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 54.41 74.3 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 123.717 0.636 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p-90 -74.35 -22.67 59.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.177 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -62.52 148.34 46.18 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t -87.86 97.73 6.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -174.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.4 p -119.02 132.32 56.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.607 -174.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.89 172.33 16.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.426 -0.806 . . . . 0.0 108.984 177.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -96.13 96.37 8.79 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.631 0.729 . . . . 0.0 110.572 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HB2' HG11 ' A' ' 39' ' ' VAL . 69.7 ttt180 -91.23 108.61 19.99 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.362 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.27 41.25 11.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.757 0.823 . . . . 0.0 111.963 -177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 95.73 -20.02 51.67 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.159 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -100.79 132.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.06 0.457 . . . . 0.0 110.386 -177.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 38' ' ' ARG . 21.1 ttt180 -73.6 106.31 5.31 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.93 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -106.96 136.83 40.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.378 -174.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 25.0 p -126.7 139.98 52.74 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 0.0 111.045 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -120.56 162.85 18.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.613 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -62.74 130.04 43.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.707 -175.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.2 ttt180 -76.79 136.03 38.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.17 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.47 95.59 3.31 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.27 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.425 -178.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.9 mtm180 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.8 t 63.7 90.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.258 0.551 . . . . 0.0 110.324 -176.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -95.23 107.63 19.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.428 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.02 -24.69 6.46 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.892 -0.67 . . . . 0.0 111.515 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 9' ' ' ARG . 6.6 ppt_? -70.54 13.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 57.0 t-105 -97.94 -49.08 4.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -89.4 -35.44 16.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.051 0.453 . . . . 0.0 110.178 178.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 62.0 t -73.93 -8.88 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.719 . . . . 0.0 109.705 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.57 ' HB2' ' O ' ' A' ' 5' ' ' ARG . 47.5 ttp180 -57.84 -40.3 79.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.745 177.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.57 -22.6 63.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.446 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -72.24 -21.13 61.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.947 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -70.93 -16.6 62.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.268 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -67.67 -27.01 66.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.254 0.549 . . . . 0.0 109.888 175.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.82 -35.81 57.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.892 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.03 -23.08 52.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.58 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.42 -30.77 66.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.86 174.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.94 2.37 55.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.512 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.06 13.09 33.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.569 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.69 1.87 13.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.124 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -66.41 -15.93 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.211 0.529 . . . . 0.0 110.132 174.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.84 -11.85 57.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.05 177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.86 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.29 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.68 -12.32 60.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.275 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -85.47 -54.65 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.971 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.97 36.2 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.312 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -120.46 1.95 10.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.833 0.825 . . . . 0.0 110.02 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -148.07 109.66 4.42 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.052 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 t90 67.05 105.37 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 124.064 0.853 . . . . 0.0 111.273 -174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -88.35 143.88 26.74 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 114.958 -1.019 . . . . 0.0 108.449 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.8 t -87.84 98.0 7.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.8 p -100.49 130.42 46.57 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.369 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.15 152.7 26.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.654 176.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -88.13 87.75 7.42 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.964 0.887 . . . . 0.0 109.806 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 63.0 ttt180 -103.32 115.2 30.1 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.074 -1.421 . . . . 0.0 108.904 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.581 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 16.3 m-80 67.07 21.79 10.09 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.616 -172.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.23 -1.71 88.24 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.8 136.74 28.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -78.15 89.47 4.25 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.411 0.624 . . . . 0.0 109.77 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.626 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.1 t -87.8 116.98 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.743 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.509 -175.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 20.5 m -104.51 116.89 32.88 Favored 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.633 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -121.93 168.06 12.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.387 -177.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -61.63 156.46 19.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.655 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -82.55 120.94 26.15 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.336 -176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.78 38.5 0.68 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.349 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.186 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 . . . . . 0 N--CA 1.482 1.174 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t 70.0 -69.16 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.051 0.541 . . . . 0.0 111.251 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -113.46 118.79 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.074 0.464 . . . . 0.0 110.771 -178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.35 -13.51 76.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.09 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.418 ' NH1' ' HD2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -76.6 -5.43 47.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.749 0.309 . . . . 0.0 111.092 -179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -61.34 -38.05 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 0.0 110.028 177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -63.59 -23.26 67.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.6 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.8 t -75.87 -51.72 19.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.303 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HD2' ' NH1' ' A' ' 5' ' ' ARG . 13.9 ptm180 -66.45 -29.91 70.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.778 0.323 . . . . 0.0 110.561 -178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.84 -26.56 67.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.974 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 27.6 t -71.79 -40.66 69.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.722 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -69.95 -48.67 57.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.709 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.95 -30.13 70.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -60.89 -40.81 94.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.844 0.354 . . . . 0.0 110.325 179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -81.76 -34.81 30.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.052 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.3 81.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.25 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 20' ' ' GLU . . . -74.63 -4.81 39.42 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.962 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.5 -9.25 58.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.918 0.39 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -62.83 -28.89 70.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.305 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 17' ' ' ALA . 8.9 pt-20 -63.57 -28.16 69.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.856 0.36 . . . . 0.0 110.765 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.41 59.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.206 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -58.0 -37.4 74.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.044 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.38 -15.47 63.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.737 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -101.9 53.39 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.112 0.482 . . . . 0.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 29.23 72.87 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.603 -0.726 . . . . 0.0 113.184 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 34.1 t80 -121.33 23.99 10.18 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.98 0.895 . . . . 0.0 109.265 177.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.62 52.91 2.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.893 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m-90 38.92 57.9 1.84 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.383 -1.28 . . . . 0.0 113.124 170.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 4.7 p30 -62.15 122.22 15.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.349 0.595 . . . . 0.0 110.817 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 22.2 t -89.04 98.52 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 173.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.0 OUTLIER -101.82 121.03 41.32 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.9 -175.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -141.22 153.12 19.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.996 176.3 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -86.92 89.49 8.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.404 0.621 . . . . 0.0 111.022 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' HD3' HG11 ' A' ' 39' ' ' VAL . 77.7 mtp180 -94.55 123.95 38.29 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 65.52 19.05 11.46 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.938 0.495 . . . . 0.0 109.993 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 91.65 -9.69 76.41 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.851 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.32 134.59 46.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 117.383 0.592 . . . . 0.0 110.677 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -72.1 92.64 1.34 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.209 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.62 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.7 p -87.52 141.94 13.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.485 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 21.8 m -131.3 137.99 49.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.884 0.374 . . . . 0.0 110.944 -176.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -134.48 156.79 47.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.935 173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.626 ' HD2' ' H ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -96.64 137.2 36.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.702 -175.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -70.81 144.39 50.81 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.654 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.05 70.36 6.3 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.796 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.245 0.823 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.547 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 120.616 0.245 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.5 m -66.91 131.68 32.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.063 0.458 . . . . 0.0 110.664 178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.419 ' HG3' ' H ' ' A' ' 6' ' ' TRP . 4.4 pt20 -109.73 178.51 4.4 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.36 -48.36 86.52 Favored Glycine 0 CA--C 1.517 0.217 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.471 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -59.53 -34.99 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.603 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.419 ' H ' ' HG3' ' A' ' 3' ' ' GLN . 55.3 t-105 -80.44 -27.74 37.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.689 -177.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' ' HB3' ' A' ' 10' ' ' ALA . 51.6 tttm -64.81 -19.58 65.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.947 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.2 t -63.02 -38.37 81.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.51 0.671 . . . . 0.0 109.506 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -81.14 -24.51 37.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.641 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . . . -86.32 0.07 54.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.401 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.2 p -112.7 -40.18 4.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.979 0.419 . . . . 0.0 110.055 175.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -86.92 17.19 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.641 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -61.32 -27.83 68.77 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.272 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -58.72 -30.1 67.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.325 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -91.76 -44.88 8.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.018 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.9 -70.4 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -171.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.07 17.65 21.84 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -170.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.75 -22.31 63.91 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -66.71 -0.9 3.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.999 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -16.87 62.88 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.876 0.369 . . . . 0.0 110.991 177.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.04 86.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 0.0 110.537 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' A' ' 26' ' ' PHE . . . -73.08 -3.0 23.6 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.695 -179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.92 -0.62 53.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.413 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -170.74 56.49 0.03 OUTLIER 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.131 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.04 89.62 1.37 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.578 -0.82 . . . . 0.0 113.383 175.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 46.0 p90 -96.82 14.97 23.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.591 0.71 . . . . 0.0 109.954 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.73 67.32 1.09 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.65 -177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.432 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 5.7 m-90 -53.44 138.58 33.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.333 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 40' ' ' CYS . 7.7 p30 -90.04 129.95 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.573 . . . . 0.0 111.268 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 t -100.75 99.24 8.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.722 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -104.87 133.05 50.33 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.263 -172.116 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.29 161.67 36.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.319 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 175.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -98.31 109.25 22.04 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.645 0.736 . . . . 0.0 110.996 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -112.51 115.35 28.51 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.045 175.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.4 t30 62.94 31.5 16.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.827 0.822 . . . . 0.0 109.716 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.65 -9.58 58.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.631 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 36.0 t -97.71 136.59 28.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.17 0.51 . . . . 0.0 110.434 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -85.19 100.62 11.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.009 -176.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.722 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.2 m -87.75 142.68 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.712 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.618 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -133.37 124.97 28.13 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.892 0.377 . . . . 0.0 111.116 -175.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -117.55 161.62 19.32 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 175.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -76.36 118.57 19.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.796 -172.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 58.8 ttt180 -68.99 128.67 37.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.616 176.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.28 1.87 10.8 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.728 -178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.146 179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.0 p -96.42 117.08 40.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.619 0.724 . . . . 0.0 111.553 -177.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -127.14 162.58 25.77 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.326 175.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.97 27.9 6.4 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.293 -179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -48.8 -37.16 18.41 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.151 0.58 . . . . 0.0 112.527 -174.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.441 ' N ' ' HG2' ' A' ' 5' ' ' ARG . 14.9 t-105 -85.25 -38.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.008 0.432 . . . . 0.0 110.094 -176.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -68.9 -38.01 79.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.024 -176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 p -66.06 -33.29 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.972 0.415 . . . . 0.0 110.361 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -85.15 -6.64 59.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.016 0.436 . . . . 0.0 110.319 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.18 -36.03 15.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.181 0.515 . . . . 0.0 109.965 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.8 m -73.56 -33.0 64.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.191 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -103.31 18.92 20.67 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.631 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HA ' ' HB3' ' A' ' 16' ' ' ALA . 67.4 t80 -63.74 -20.66 65.92 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.335 0.588 . . . . 0.0 111.068 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -64.14 -39.9 95.02 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.571 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.93 -21.38 22.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 110.42 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HB3' ' HA ' ' A' ' 13' ' ' PHE . . . -76.23 -6.95 53.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.151 178.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.74 -41.47 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.988 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.54 -12.28 59.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.166 0.508 . . . . 0.0 110.334 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 19' ' ' LYS . 23.2 ttmm -101.52 10.3 40.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.781 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -57.39 -43.69 83.85 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.97 70.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.84 0.352 . . . . 0.0 110.457 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.28 -40.58 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.092 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.52 71.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.781 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -94.0 8.97 39.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.048 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.17 75.95 1.3 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.867 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.405 ' C ' ' H ' ' A' ' 28' ' ' TRP . 51.7 t80 -92.95 -30.37 15.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.258 0.551 . . . . 0.0 109.861 178.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -83.16 22.1 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.849 0.833 . . . . 0.0 110.225 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.554 ' O ' ' HD3' ' A' ' 43' ' ' ARG . 1.4 m95 -126.77 3.85 6.69 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.863 -178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.97 145.14 56.0 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.1 t -88.42 98.78 8.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -176.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.673 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 4.6 p -106.59 121.13 43.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.804 -178.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.55 168.13 22.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.952 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -95.12 89.34 5.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.412 0.625 . . . . 0.0 110.13 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.625 ' HG2' ' ND2' ' A' ' 35' ' ' ASN . 51.6 ttp180 -95.42 117.92 31.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.638 -175.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.625 ' ND2' ' HG2' ' A' ' 34' ' ' ARG . 6.2 m-80 62.96 19.19 11.45 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 122.999 0.52 . . . . 0.0 110.14 -175.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.69 -18.62 55.81 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.951 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 34' ' ' ARG . 14.4 p -99.87 141.85 16.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 117.689 0.745 . . . . 0.0 110.82 -177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -72.68 104.31 3.88 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.083 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 7.1 p -106.6 128.0 61.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.535 -175.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.5 p -115.87 120.05 37.97 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.05 178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -121.55 167.52 12.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.564 -177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -64.37 162.55 14.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.894 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 28' ' ' TRP . 72.8 mtm180 -100.66 159.1 15.45 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.592 -174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -106.01 24.02 13.06 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.087 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.344 -177.563 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.963 0.411 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.7 m -91.01 168.07 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.783 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.12 108.97 16.77 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -178.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' O ' HG22 ' A' ' 8' ' ' VAL . . . -96.07 12.97 66.59 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.033 -174.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -46.81 -59.58 2.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.192 0.52 . . . . 0.0 111.82 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 45.6 p90 -83.68 -16.38 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.886 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.66 -44.58 41.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.404 -176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HA ' ' HB2' ' A' ' 12' ' ' PHE . 31.1 m -72.89 -9.11 12.64 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.76 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 100.0 mtt180 -101.64 2.93 39.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.059 0.457 . . . . 0.0 110.262 176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.49 -61.43 1.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.02 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -94.01 -33.26 13.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.0 110.916 -177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 8' ' ' VAL . 84.8 m-85 -102.21 19.78 18.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.683 -177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.25 -31.58 53.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.832 0.349 . . . . 0.0 111.421 -175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -64.69 -31.51 72.77 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -90.93 -19.76 22.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.341 0.591 . . . . 0.0 110.091 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . . . -63.2 -11.81 23.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.819 -177.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.33 -30.79 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 0.0 110.833 176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.91 6.04 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.202 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . 17.7 tppt? -77.82 -7.39 56.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.596 0.712 . . . . 0.0 110.085 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.68 -13.96 60.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.662 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.23 94.37 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.822 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.598 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -50.59 -31.15 15.09 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.583 178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.29 -9.42 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -118.75 -85.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.715 0.293 . . . . 0.0 111.389 -177.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.22 19.99 19.43 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.785 -0.721 . . . . 0.0 113.15 -174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.598 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 57.4 t80 -109.48 -9.67 14.91 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 121.638 0.732 . . . . 0.0 109.159 175.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.401 ' HB3' ' ND2' ' A' ' 29' ' ' ASN . . . -125.28 -173.93 2.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.918 -177.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 33.4 m0 -85.1 50.59 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.228 0.537 . . . . 0.0 111.261 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 47.9 m-80 -91.27 132.39 36.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.592 177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 6.6 t -89.39 99.57 9.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.164 179.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.8 p -98.13 120.75 39.08 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.286 0.565 . . . . 0.0 111.775 -177.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.1 m -135.94 171.93 16.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.217 -0.901 . . . . 0.0 109.135 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -104.05 101.86 11.62 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.811 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' VAL . 97.2 mtt180 -102.21 121.39 42.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.732 176.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 44.95 35.31 1.48 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.802 0.841 . . . . 0.0 112.534 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -21.05 41.69 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.851 -0.69 . . . . 0.0 114.036 174.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' ARG . 11.8 p -99.54 139.68 20.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.667 0.734 . . . . 0.0 111.234 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -79.35 93.59 5.35 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.499 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 9.5 p -91.17 141.58 14.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.171 -175.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 29' ' ' ASN . 13.3 p -135.72 133.7 38.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.643 -178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -129.27 149.79 50.91 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.603 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' ASN . 15.1 ptm180 -90.13 141.87 28.27 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.839 -173.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -74.0 146.03 44.12 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.026 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.16 112.2 24.26 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.149 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.914 179.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.229 0.537 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.0 p -156.2 148.85 11.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -91.77 117.14 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.361 0.601 . . . . 0.0 109.968 177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.67 -31.2 63.49 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.158 -0.928 . . . . 0.0 113.818 -173.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -61.96 -31.26 71.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.192 -178.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.7 t90 -102.51 -6.27 23.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.061 0.458 . . . . 0.0 110.379 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.46 -15.98 63.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.079 0.466 . . . . 0.0 110.271 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -63.3 -21.22 27.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -88.98 -14.34 36.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.009 0.433 . . . . 0.0 110.479 178.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.29 -15.35 46.98 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.448 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.1 p -65.28 -30.75 71.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.579 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -63.45 -39.92 95.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.758 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -68.46 -30.17 68.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.21 0.529 . . . . 0.0 110.37 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -72.27 -44.37 62.91 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.915 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.7 -42.76 90.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.003 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.66 94.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.089 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.92 98.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.083 0.468 . . . . 0.0 110.961 178.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.24 -22.47 60.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.747 178.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -78.55 -40.83 33.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.67 -178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.51 -28.22 60.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.781 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.2 75.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.06 0.457 . . . . 0.0 110.467 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.52 0.07 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.684 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.01 -6.35 26.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.042 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -136.67 -50.28 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.92 -178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.46 79.52 0.12 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.847 -177.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -104.97 -20.4 13.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.337 0.589 . . . . 0.0 109.462 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.49 135.64 54.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.79 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.456 ' O ' ' HD2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -82.96 19.08 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.235 -178.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 43' ' ' ARG . 95.2 m-20 -65.74 160.6 22.57 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.019 0.437 . . . . 0.0 110.697 178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 43' ' ' ARG . 3.7 t -89.55 98.47 8.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.704 ' SG ' ' HG2' ' A' ' 38' ' ' ARG . 1.7 t -111.82 130.06 55.93 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 121.532 0.682 . . . . 0.0 110.365 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -144.64 165.95 12.39 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 114.528 -1.214 . . . . 0.0 109.267 -176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -91.87 89.22 6.94 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.667 0.746 . . . . 0.0 110.137 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -92.29 114.17 26.64 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.161 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.6 t30 65.57 19.72 11.53 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 122.002 0.906 . . . . 0.0 109.689 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.55 -19.72 49.39 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.795 -0.716 . . . . 0.0 113.135 177.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -100.1 141.34 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.222 0.534 . . . . 0.0 110.738 -178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.704 ' HG2' ' SG ' ' A' ' 31' ' ' CYS . 47.1 ttp180 -79.12 97.25 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.387 -175.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -103.33 138.53 27.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.683 -173.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -115.93 141.65 47.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.899 0.38 . . . . 0.0 110.785 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -144.38 167.79 21.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 42' ' ' ARG . 47.8 mtp180 -61.74 159.27 13.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.052 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HG3' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -95.55 146.97 24.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.258 0.551 . . . . 0.0 111.418 -175.609 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -114.73 11.08 16.75 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.605 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 C--O 1.25 1.131 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.86 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.9 mtm180 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.5 p -69.14 117.72 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.505 0.669 . . . . 0.0 110.995 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -135.74 166.69 22.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.46 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.27 11.15 51.48 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.326 -178.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 24.2 ptt180 -57.45 -41.61 80.87 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.406 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 68.1 p-90 -88.08 -27.92 21.65 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.08 0.467 . . . . 0.0 110.076 -178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -68.5 -42.0 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.6 -29.34 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.002 0.43 . . . . 0.0 110.641 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 5' ' ' ARG . 20.7 mmm180 -72.19 -35.28 68.91 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.173 0.511 . . . . 0.0 109.94 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.99 -0.09 56.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.321 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 t -100.97 -48.81 4.32 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 0.0 110.806 -179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -93.39 17.75 10.85 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -63.65 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.253 0.549 . . . . 0.0 110.46 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.84 -34.29 57.87 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.301 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -73.59 -22.74 59.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.2 2.41 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.414 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.87 3.01 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.101 0.477 . . . . 0.0 111.202 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.22 8.03 14.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.346 0.593 . . . . 0.0 110.288 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -67.46 -17.05 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.739 178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.97 -20.15 63.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.021 178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.94 -14.13 62.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.428 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.02 -26.59 67.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.1 -20.46 59.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.638 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt -93.38 -61.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.756 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.35 37.36 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.951 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -89.87 -17.49 27.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.649 0.738 . . . . 0.0 109.953 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 29' ' ' ASN . . . -118.9 173.05 7.11 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.959 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' O ' ' HD3' ' A' ' 43' ' ' ARG . 68.2 m95 -84.66 47.07 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.487 0.661 . . . . 0.0 111.592 -174.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 27' ' ' ALA . 1.9 p-10 -110.84 126.98 55.23 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.677 173.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.3 t -89.33 97.17 6.75 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.57 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.748 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 7.2 p -112.41 133.56 54.43 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -171.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG23 ' HG3' ' A' ' 34' ' ' ARG . 34.6 m -136.68 165.3 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 63.6 m-85 -105.07 88.51 2.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.317 0.58 . . . . 0.0 110.907 -173.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HG3' HG23 ' A' ' 32' ' ' VAL . 34.3 mtp180 -89.74 110.12 21.05 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.464 -0.789 . . . . 0.0 108.975 178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.9 t30 67.55 31.51 6.14 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 122.066 0.936 . . . . 0.0 109.639 -175.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 4.39 71.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.632 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 23.7 t -98.5 134.09 38.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -81.35 89.95 6.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.604 -176.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.748 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 1.3 m -87.18 142.02 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 28.4 m -129.9 139.54 51.12 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -135.43 170.29 16.17 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.498 ' HA ' HH21 ' A' ' 43' ' ' ARG . 74.0 mtp180 -59.83 155.58 15.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.861 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.498 HH21 ' HA ' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -94.72 156.47 16.38 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -174.042 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' ASN . . . -98.59 -29.51 13.02 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.159 -0.928 . . . . 0.0 108.788 170.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' ALA . 3.0 t-20 . . . . . 0 C--O 1.251 1.171 0 CA-C-N 113.452 -1.704 . . . . 0.0 109.084 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 120.79 0.329 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 m -108.13 161.45 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -79.42 118.02 20.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.164 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.85 -0.14 63.51 Favored Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.781 -172.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 6' ' ' TRP . 7.3 ptp85 -73.52 -46.05 50.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.315 0.557 . . . . 0.0 110.8 176.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.411 ' N ' ' HG3' ' A' ' 5' ' ' ARG . 72.5 t-105 -111.95 -41.68 3.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.951 -175.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -78.13 0.24 25.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -166.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.58 -19.95 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.166 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -61.22 -34.94 75.93 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.235 0.541 . . . . 0.0 110.362 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.18 -22.51 24.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.698 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.9 m -64.43 -23.15 67.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.578 ' O ' ' HB2' ' A' ' 16' ' ' ALA . 53.3 m-85 -61.57 -16.38 47.46 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.697 178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -80.87 -52.61 7.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.574 0.226 . . . . 0.0 111.419 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -73.75 -32.0 63.62 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.617 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -90.53 9.83 27.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 12' ' ' PHE . . . -69.22 -20.73 63.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.49 -11.45 60.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.724 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.91 8.48 44.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.612 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -82.65 14.82 2.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.359 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.84 -19.61 18.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.961 0.41 . . . . 0.0 111.345 173.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.87 1.65 56.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.604 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -31.02 68.7 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -176.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 42' ' ' ARG . . . -67.28 -11.2 56.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.447 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -96.41 7.75 45.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.045 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.79 28.73 13.21 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.192 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -98.35 7.29 46.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.706 0.765 . . . . 0.0 110.12 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -175.4 -24.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.263 176.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 20.0 m0 -114.42 93.37 4.31 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.688 178.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -110.42 122.21 47.15 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 8.1 t -88.22 98.26 7.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.628 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 5.3 p -104.11 124.74 49.63 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.504 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 m -132.48 -179.2 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.989 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -112.82 95.48 5.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.09 0.471 . . . . 0.0 111.086 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -95.91 128.45 42.81 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.367 176.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.4 p30 50.27 20.99 0.72 Allowed 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.255 1.022 . . . . 0.0 112.261 -176.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.62 -11.92 57.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.919 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -99.04 137.54 26.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 110.3 -177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -76.04 109.98 10.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.698 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 13.9 p -113.25 135.35 53.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.281 -174.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 9.0 p -122.71 145.1 48.69 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.128 0.49 . . . . 0.0 111.271 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -138.86 166.35 24.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.066 175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 30.3 ptt180 -62.3 145.81 52.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.213 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' TRP . 75.6 ttt180 -100.51 143.48 30.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.116 0.484 . . . . 0.0 110.976 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.93 104.92 9.88 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.437 175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.61 -0.709 . . . . 0.0 110.125 -177.007 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.72 0.295 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.44 81.63 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.183 0.516 . . . . 0.0 110.678 -177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.32 135.04 33.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.84 176.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.42 25.33 4.45 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.32 -0.467 . . . . 0.0 112.99 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -25.37 66.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.584 0.231 . . . . 0.0 111.199 -177.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -81.59 -37.48 27.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 -177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.33 -28.77 69.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.038 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.531 ' HA ' ' OG ' ' A' ' 11' ' ' SER . 31.4 m -104.11 6.79 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 120.812 0.339 . . . . 0.0 111.323 178.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 78.7 ttt180 -67.97 -50.16 57.39 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.568 -173.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.38 -18.75 23.76 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.484 -0.486 . . . . 0.0 111.21 -178.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.531 ' OG ' ' HA ' ' A' ' 8' ' ' VAL . 5.4 p -85.19 -53.28 5.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.863 -177.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -107.87 -46.31 3.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.65 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.622 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 74.9 t80 -56.98 -32.48 66.12 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -59.11 -42.21 90.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.141 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -83.9 -36.58 23.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.194 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 13' ' ' PHE . . . -59.67 -37.06 77.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.76 -43.43 79.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.851 0.358 . . . . 0.0 110.735 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.35 81.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.596 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -72.32 -26.17 61.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.719 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -81.14 -55.81 4.51 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.053 0.454 . . . . 0.0 110.627 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.15 -55.15 4.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.06 -174.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.69 12.75 1.92 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -172.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -109.68 -30.71 7.76 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.049 0.452 . . . . 0.0 110.291 174.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -150.0 126.55 10.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.957 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.51 -50.46 1.42 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.963 -0.637 . . . . 0.0 111.621 -178.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.478 ' HA ' ' OD1' ' A' ' 29' ' ' ASN . 62.1 m-85 -112.02 25.84 11.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.222 0.534 . . . . 0.0 110.165 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.91 4.6 29.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.641 0.734 . . . . 0.0 110.614 178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -139.96 44.12 1.92 Allowed 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.716 -1.129 . . . . 0.0 109.659 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 26' ' ' PHE . 11.3 m120 -110.89 165.83 11.53 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.322 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 t -111.94 99.9 9.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.038 -0.983 . . . . 0.0 108.463 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.562 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 21.2 p -100.49 128.45 46.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.291 0.567 . . . . 0.0 112.006 -176.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -138.95 153.91 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.771 176.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -90.5 92.76 9.01 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.166 0.508 . . . . 0.0 111.186 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -96.66 114.78 26.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.282 175.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.2 t30 63.97 35.34 10.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.897 0.856 . . . . 0.0 109.304 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.48 -9.01 52.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.846 -0.692 . . . . 0.0 113.105 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.44 135.39 34.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.97 0.414 . . . . 0.0 110.201 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.2 ttp180 -78.43 89.74 4.42 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.533 0.682 . . . . 0.0 110.044 -178.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -82.93 136.27 23.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.726 -178.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.7 p -131.87 133.18 44.35 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.045 0.45 . . . . 0.0 111.822 -176.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -124.88 163.36 22.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.079 174.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -77.45 146.25 36.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.855 -175.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.32 146.05 29.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.35 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.46 71.46 1.76 Allowed 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.312 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.287 -177.318 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 . . . . . 0 N--CA 1.482 1.172 0 CA-C-O 120.604 0.24 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.77 162.89 2.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 110.862 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -116.54 109.8 17.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.59 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 8' ' ' VAL . . . -65.71 -32.43 83.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.27 -178.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.526 ' HD3' ' N ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -60.7 -23.02 64.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.997 0.427 . . . . 0.0 111.297 178.056 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.526 ' N ' ' HD3' ' A' ' 5' ' ' ARG . 65.0 t-105 -90.54 -36.61 14.37 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -61.14 -44.78 96.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.496 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 4' ' ' GLY . 57.7 t -59.48 -38.29 74.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.617 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -72.28 -48.54 41.64 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.456 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.8 81.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.655 -178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.6 t -62.18 -51.04 69.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 0.0 110.337 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -72.28 -26.39 61.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.77 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.58 -26.91 65.8 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.12 0.486 . . . . 0.0 111.233 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -64.38 -44.85 90.05 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.89 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.51 -11.51 40.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.052 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.58 68.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.67 -32.02 73.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.341 175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -87.89 -22.73 24.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.248 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -69.74 -44.71 69.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.272 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.37 -24.1 61.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.607 178.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.98 -13.61 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.318 0.58 . . . . 0.0 110.442 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.03 19.61 15.96 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.009 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -37.24 -44.94 0.61 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -176.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -91.46 61.0 4.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.22 0.533 . . . . 0.0 110.337 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.61 39.75 0.29 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.026 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -85.64 -27.28 25.51 Favored 'General case' 0 CA--C 1.514 -0.426 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.67 17.96 22.94 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.578 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' HB2' ' HB3' ' A' ' 43' ' ' ARG . 7.0 m-90 50.52 94.53 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 113.802 -1.545 . . . . 0.0 112.024 -179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 40' ' ' CYS . 13.4 m120 -77.11 117.07 18.3 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.102 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 16.3 t -88.05 97.75 6.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 6.0 p -103.84 125.18 50.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.523 -177.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.5 m -135.66 163.76 34.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.255 -0.884 . . . . 0.0 108.907 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.01 89.17 7.31 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.468 0.652 . . . . 0.0 109.414 -178.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -103.2 118.5 36.93 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.6 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.9 t30 65.19 20.58 11.98 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.528 0.68 . . . . 0.0 109.799 -176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.94 -18.83 56.84 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.721 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -104.28 137.95 31.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.462 0.649 . . . . 0.0 110.686 -178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -70.34 101.89 2.03 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.927 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.714 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.7 p -98.88 136.96 27.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.967 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 11.4 p -126.33 141.6 51.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.991 0.424 . . . . 0.0 111.402 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -137.55 165.67 25.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.856 174.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.588 ' H ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -79.04 132.89 36.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.537 -176.095 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' HB3' ' HB2' ' A' ' 28' ' ' TRP . 66.2 ttt180 -101.26 151.8 21.45 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.065 -178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.19 102.6 8.62 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 175.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.695 -0.669 . . . . 0.0 110.366 -179.473 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.606 0.241 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.1 t -97.26 129.54 47.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -84.44 109.5 17.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.618 0.723 . . . . 0.0 110.597 -178.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.91 24.95 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.476 -0.784 . . . . 0.0 113.079 -175.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 5' ' ' ARG . 18.6 ptt85 -80.76 -37.47 30.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.86 0.362 . . . . 0.0 110.873 176.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 59.5 p-90 -110.42 -23.53 11.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -64.78 -20.05 66.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 t -60.6 -32.8 52.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.607 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -50.01 74.84 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.314 177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' ' 13' ' ' PHE . . . -72.67 -22.96 60.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -66.64 -51.51 55.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.008 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -62.33 -29.6 70.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.694 0.283 . . . . 0.0 110.644 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 67.5 t80 -58.65 -29.04 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.438 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.222 0.534 . . . . 0.0 109.93 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -79.94 -30.1 39.82 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.393 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.19 -39.42 92.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.892 177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.77 -24.84 60.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.629 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.42 -11.8 59.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.196 0.522 . . . . 0.0 110.787 178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 60.5 tttm -85.49 12.23 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 109.983 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -67.1 4.24 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.354 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.52 -14.86 62.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.084 0.469 . . . . 0.0 110.798 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HB3' ' HB2' ' A' ' 26' ' ' PHE . . . -101.38 20.64 15.53 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.99 -13.95 0.35 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -174.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -53.24 -40.93 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 110.383 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.84 19.12 0.29 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.351 -0.928 . . . . 0.0 113.11 174.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 84.9 m-85 -121.27 0.62 10.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.85 0.357 . . . . 0.0 111.257 178.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -171.85 66.16 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.014 -177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.63 50.93 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.596 0.712 . . . . 0.0 110.751 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -73.35 140.3 46.58 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.073 174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 2.2 t -89.43 98.45 8.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.747 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 16.5 p -112.01 137.68 49.7 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.631 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.64 159.41 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -89.51 91.15 8.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.534 0.683 . . . . 0.0 109.584 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -97.55 98.72 10.15 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.648 -175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.6 t30 62.09 42.83 9.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.807 0.813 . . . . 0.0 109.769 -178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.14 -18.4 22.73 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.867 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.3 t -97.25 127.88 49.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.474 0.654 . . . . 0.0 110.193 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -82.73 98.83 9.28 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.14 -177.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.747 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.7 m -92.3 138.33 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.572 -177.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 17.7 p -126.79 128.47 46.63 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.974 0.416 . . . . 0.0 110.483 178.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -124.61 166.36 16.25 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.065 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -64.68 154.38 36.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.575 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -72.5 141.88 48.54 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -153.34 65.96 0.76 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.75 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 C--O 1.246 0.919 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.16 -177.385 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.817 0.342 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.52 50.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.281 0.562 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -86.46 146.71 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.24 28.37 3.38 Favored Glycine 0 CA--C 1.521 0.411 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.896 -178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.439 ' O ' HG12 ' A' ' 8' ' ' VAL . 0.1 OUTLIER -61.02 -20.76 62.89 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -174.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 26.8 m0 -84.85 -28.62 25.92 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.561 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -77.59 -29.78 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 5' ' ' ARG . 7.2 p -67.24 -16.43 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.989 -177.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.516 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 75.2 ttt180 -65.48 -28.68 69.38 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.41 -22.72 66.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.117 0.484 . . . . 0.0 110.632 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 m -72.33 -22.64 61.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.106 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 9' ' ' ARG . 37.9 m-85 -68.91 -27.86 66.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.302 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -65.04 -29.93 70.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.332 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.18 -35.98 55.39 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.336 179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -69.75 -41.65 74.94 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.32 65.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.034 177.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.23 -12.85 60.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.824 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.52 7.94 40.98 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.124 0.488 . . . . 0.0 110.399 178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.88 -33.65 73.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.949 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.3 -34.49 73.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.157 178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.23 -27.96 19.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.886 0.375 . . . . 0.0 110.387 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.93 -50.39 68.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.312 -179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.13 66.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.487 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -78.33 -65.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.875 -178.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.09 30.25 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.13 -1.033 . . . . 0.0 113.188 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -107.69 -17.93 13.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.219 0.533 . . . . 0.0 110.315 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.23 27.46 8.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.091 177.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.412 ' HB3' ' HG2' ' A' ' 43' ' ' ARG . 58.8 m95 -112.41 -0.26 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.605 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.16 128.33 35.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.255 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.584 ' HB ' ' CD2' ' A' ' 41' ' ' HIS . 43.9 t -88.24 97.66 6.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 2.6 p -106.8 127.83 53.73 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.445 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.4 166.08 28.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -94.53 90.23 6.11 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.604 0.716 . . . . 0.0 110.561 -176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -96.94 110.21 22.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.867 -1.061 . . . . 0.0 109.129 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.3 t30 65.19 31.87 10.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.964 0.888 . . . . 0.0 109.163 -174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.46 -20.72 25.47 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.333 -0.849 . . . . 0.0 113.29 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.34 141.93 15.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.463 0.649 . . . . 0.0 110.198 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -76.62 111.12 11.78 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.55 -175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 8.9 p -106.37 136.5 40.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.696 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.0 p -121.62 122.45 39.66 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.187 0.518 . . . . 0.0 111.138 -176.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -88.42 165.3 15.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.943 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -84.7 126.66 33.58 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.973 -177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.441 ' HD3' HG23 ' A' ' 30' ' ' VAL . 7.1 tpt180 -83.76 130.11 34.94 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.983 -174.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.93 100.83 7.46 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.788 177.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.0 m120 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.601 -177.667 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 111.461 0.171 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 96.7 t -107.19 -45.56 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.962 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 79.8 mm-40 -92.33 117.55 30.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.288 -178.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.48 -8.85 47.97 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.563 -0.744 . . . . 0.0 114.811 -169.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.471 ' NH1' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -74.65 -4.95 40.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 117.968 0.884 . . . . 0.0 110.523 178.445 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.471 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 58.8 t-105 -82.39 -13.11 57.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.286 0.565 . . . . 0.0 109.797 177.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.48 22.39 1.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.634 -175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 5' ' ' ARG . 15.6 m -55.07 -23.23 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.905 178.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -60.0 -25.51 65.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.918 0.389 . . . . 0.0 111.312 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.66 -20.47 20.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.6 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.4 t -82.0 -49.76 9.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.471 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -77.76 1.77 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -61.32 -33.5 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -36.09 83.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -74.11 -29.74 61.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.547 0.689 . . . . 0.0 109.549 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.03 2.71 45.38 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.115 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.17 11.85 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.027 0.441 . . . . 0.0 111.046 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.3 12.38 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.137 179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.14 -27.39 69.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.192 -177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -68.62 -24.75 64.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.792 0.329 . . . . 0.0 111.089 -178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.75 -4.82 53.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.268 -177.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' ' CB ' ' A' ' 26' ' ' PHE . . . -59.81 -19.86 53.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.843 -178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.04 -33.45 73.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.898 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -155.41 -52.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.576 0.213 . . . . 0.0 111.576 -177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.33 33.37 2.03 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 121.271 -0.49 . . . . 0.0 113.042 -174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' CB ' ' HA ' ' A' ' 22' ' ' ALA . 23.6 t80 -121.66 27.66 8.09 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.637 0.732 . . . . 0.0 109.245 178.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.88 61.74 1.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.335 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -75.04 -29.26 60.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.041 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -59.62 116.14 3.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.539 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 4.0 t -89.11 97.42 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 172.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 12.9 p -119.66 143.05 47.93 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.584 -169.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.35 152.15 23.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.538 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 37' ' ' VAL . 10.5 m-85 -82.63 96.45 8.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.352 0.596 . . . . 0.0 110.616 -178.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.536 ' HB2' HG21 ' A' ' 39' ' ' VAL . 63.1 mtp180 -97.79 93.27 6.27 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.819 178.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.5 t30 64.81 57.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.105 -174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.68 -18.24 4.91 Favored Glycine 0 CA--C 1.518 0.222 0 CA-C-N 115.781 -0.645 . . . . 0.0 113.752 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 33' ' ' TYR . 17.1 t -97.84 135.46 32.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.11 0.481 . . . . 0.0 110.556 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -82.18 103.95 12.15 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.732 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 17.2 t -103.24 118.87 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.311 -172.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 29.5 p -102.41 134.19 46.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.433 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.472 ' CD2' ' HB ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -91.53 166.31 12.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.827 -177.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -66.72 132.97 49.22 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.137 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.22 156.13 16.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.022 0.439 . . . . 0.0 110.91 -175.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -154.18 87.95 1.21 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.351 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.208 179.041 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.1 ptt180 . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.538 0.208 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -83.94 84.28 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.549 0.69 . . . . 0.0 110.514 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -103.19 -177.28 3.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.364 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.52 91.81 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.166 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -5.8 51.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.818 0.342 . . . . 0.0 111.427 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -96.0 -36.02 11.19 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.23 0.538 . . . . 0.0 109.695 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -85.48 16.64 3.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.866 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.42 -17.22 20.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.532 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -63.81 -31.33 72.48 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 178.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.35 74.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.572 176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.6 m -67.2 -44.89 78.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.305 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -66.74 -34.74 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.603 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.89 -36.53 84.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.343 177.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.16 -44.66 75.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.91 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -65.12 -28.53 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.249 178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.7 -50.3 45.02 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.446 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.71 10.7 34.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.477 -176.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.1 75.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.619 -177.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -56.17 -41.44 75.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.047 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.6 -51.86 31.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.988 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 26' ' ' PHE . . . -72.87 -17.33 61.54 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.811 -174.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.72 0.295 . . . . 0.0 110.72 177.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 -36.84 85.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.454 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -68.54 -60.58 2.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.358 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 177.16 27.99 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.837 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' HB1' ' A' ' 21' ' ' ALA . 33.5 m-85 -107.26 25.38 11.48 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.394 0.616 . . . . 0.0 110.22 178.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.52 65.09 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.73 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.4 ' HZ3' ' ND2' ' A' ' 45' ' ' ASN . 11.8 m95 -81.71 56.93 3.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.228 -176.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -110.29 134.23 52.47 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.209 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -88.04 99.28 8.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.17 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.801 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 1.6 p -92.5 121.13 33.66 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.251 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.587 HG22 HG22 ' A' ' 39' ' ' VAL . 6.6 m -132.4 156.31 42.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -91.23 90.01 7.58 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.536 0.684 . . . . 0.0 109.736 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -96.7 101.58 13.2 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.287 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 t30 62.39 42.36 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.845 0.831 . . . . 0.0 109.853 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 82.85 -17.7 20.07 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.847 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.0 t -98.2 130.62 46.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.188 0.518 . . . . 0.0 110.214 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -84.38 100.72 11.47 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.515 -177.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.801 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 2.0 m -88.55 142.18 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.731 179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 19.5 m -133.15 111.63 11.07 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.1 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -116.93 138.91 51.22 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.229 0.537 . . . . 0.0 111.267 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -63.05 129.93 42.48 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.83 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.67 138.84 58.03 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.02 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.71 85.83 2.81 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.054 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' HZ3' ' A' ' 28' ' ' TRP . 3.3 m-20 . . . . . 0 C--O 1.244 0.808 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.069 -179.202 . . . . . . . . 1 1 . 1 stop_ save_